2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016036 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-(3,5-dimethylphenyl)-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 554.11 |
| Molecular Formula: | C32 H28 Cl N3 O2 S |
| Smiles: | Cc1cc(C)cc(c1)NC(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.3671 |
| logD: | 7.3671 |
| logSw: | -6.1007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.841 |
| InChI Key: | DNTAKCSVFLRQRF-UHFFFAOYSA-N |