2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,4-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,4-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,4-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016028 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,4-dimethoxyphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 586.11 |
| Molecular Formula: | C32 H28 Cl N3 O4 S |
| Smiles: | COc1ccc(cc1OC)NC(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2091 |
| logD: | 6.2066 |
| logSw: | -5.9644 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.101 |
| InChI Key: | YBXVFOISUTZYTI-UHFFFAOYSA-N |