N-(2-chlorophenyl)-2-[1-[(4-methoxyphenyl)methoxy]indol-3-yl]acetamide
PubChem CID: 141490255
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| Compound Synonyms | CHEMBL4789119, N-(2-chlorophenyl)-2-[1-[(4-methoxyphenyl)methoxy]indol-3-yl]acetamide |
|---|---|
| Topological Polar Surface Area | 52.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 30.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 555.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | N-(2-chlorophenyl)-2-[1-[(4-methoxyphenyl)methoxy]indol-3-yl]acetamide |
| Prediction Hob | 1.0 |
| Xlogp | 5.3 |
| Molecular Formula | C24H21ClN2O3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | SSQHLYZGYHVBHZ-UHFFFAOYSA-N |
| Fcsp3 | 0.125 |
| Logs | -6.62 |
| Rotatable Bond Count | 7.0 |
| Logd | 4.073 |
| Compound Name | N-(2-chlorophenyl)-2-[1-[(4-methoxyphenyl)methoxy]indol-3-yl]acetamide |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 420.124 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 420.124 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 420.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -6.159555200000001 |
| Inchi | InChI=1S/C24H21ClN2O3/c1-29-19-12-10-17(11-13-19)16-30-27-15-18(20-6-2-5-9-23(20)27)14-24(28)26-22-8-4-3-7-21(22)25/h2-13,15H,14,16H2,1H3,(H,26,28) |
| Smiles | COC1=CC=C(C=C1)CON2C=C(C3=CC=CC=C32)CC(=O)NC4=CC=CC=C4Cl |
| Nring | 4.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Isatis Tinctoria (Plant) Rel Props:Source_db:cmaup_ingredients