N,N-diethyl-3-(4-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N,N-diethyl-3-(4-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N,N-diethyl-3-(4-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G859-0272 |
| Compound Name: | N,N-diethyl-3-(4-methoxyphenyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 518.59 |
| Molecular Formula: | C27 H26 N4 O5 S |
| Smiles: | CCN(CC)C(c1ccc2C(N(C(=Nc2c1)SCc1ccc(cc1)[N+]([O-])=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6065 |
| logD: | 3.6063 |
| logSw: | -3.9272 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 82.017 |
| InChI Key: | XMNHXGTWIXSGCQ-UHFFFAOYSA-N |