2-{[(4-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(4-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0418 |
| Compound Name: | 2-{[(4-chlorophenyl)methyl]sulfanyl}-N-cyclopentyl-3-(3,5-dimethoxyphenyl)-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 550.08 |
| Molecular Formula: | C29 H28 Cl N3 O4 S |
| Smiles: | COc1cc(cc(c1)OC)N1C(=Nc2cc(ccc2C1=O)C(NC1CCCC1)=O)SCc1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.5881 |
| logD: | 5.588 |
| logSw: | -5.8954 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.752 |
| InChI Key: | TXUMKACTGFVAJX-UHFFFAOYSA-N |