(2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one
PubChem CID: 163006943
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 41.6 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 21.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 366.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one |
| Prediction Hob | 1.0 |
| Xlogp | 3.2 |
| Molecular Formula | C17H18N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JSVJSRPGSXVCGE-INIZCTEOSA-N |
| Fcsp3 | 0.2352941176470588 |
| Logs | -4.398 |
| Rotatable Bond Count | 3.0 |
| Logd | 3.031 |
| Compound Name | (2S)-2-[(4-methoxyphenyl)methyl]-1-methyl-2,3-dihydroquinazolin-4-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 282.137 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 282.137 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 282.34 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.900683742857143 |
| Inchi | InChI=1S/C17H18N2O2/c1-19-15-6-4-3-5-14(15)17(20)18-16(19)11-12-7-9-13(21-2)10-8-12/h3-10,16H,11H2,1-2H3,(H,18,20)/t16-/m0/s1 |
| Smiles | CN1[C@H](NC(=O)C2=CC=CC=C21)CC3=CC=C(C=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Glycosmis Cochinchinensis (Plant) Rel Props:Source_db:cmaup_ingredients