N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015912 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 568.7 |
| Molecular Formula: | C32 H32 N4 O4 S |
| Smiles: | C1CCC(CCNC(c2ccc3C(N(CCc4ccccc4)C(=Nc3c2)SCc2cccc(c2)[N+]([O-])=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.8508 |
| logD: | 5.8508 |
| logSw: | -5.8554 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.578 |
| InChI Key: | KCHXDJHCFZJVDF-UHFFFAOYSA-N |