2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016032 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 558.14 |
| Molecular Formula: | C32 H32 Cl N3 O2 S |
| Smiles: | C1CCC(CCNC(c2ccc3C(N(CCc4ccccc4)C(=Nc3c2)SCc2cccc(c2)[Cl])=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 6.6441 |
| logD: | 6.6441 |
| logSw: | -6.3185 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.196 |
| InChI Key: | IMAYLFPIIXAQOC-UHFFFAOYSA-N |