(12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8(20),13,15,17-hexaene-11-carboxamide
PubChem CID: 102195029
Connections displayed (default: 10).
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| Topological Polar Surface Area | 74.0 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 25.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 885.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8(20),13,15,17-hexaene-11-carboxamide |
| Prediction Hob | 1.0 |
| Xlogp | 0.0 |
| Molecular Formula | C19H18N2O4 |
| Prediction Swissadme | 1.0 |
| Inchi Key | NFDWMFVVPNWGJW-CQSZACIVSA-N |
| Fcsp3 | 0.3157894736842105 |
| Logs | -3.511 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.242 |
| Compound Name | (12R)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(19),2(6),8(20),13,15,17-hexaene-11-carboxamide |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 338.127 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 338.127 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 338.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.8843506000000008 |
| Inchi | InChI=1S/C19H18N2O4/c1-23-12-2-3-13-11(6-12)7-14-16-10(4-5-21(14)19(20)22)8-15-18(17(13)16)25-9-24-15/h2-3,6-7,14H,4-5,8-9H2,1H3,(H2,20,22)/t14-/m1/s1 |
| Smiles | COC1=CC2=C[C@@H]3C4=C(CCN3C(=O)N)CC5=C(C4=C2C=C1)OCO5 |
| Nring | 5.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Annona Squamosa (Plant) Rel Props:Source_db:cmaup_ingredients