N,3-dibenzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N,3-dibenzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N,3-dibenzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015701 |
| Compound Name: | N,3-dibenzyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 536.61 |
| Molecular Formula: | C30 H24 N4 O4 S |
| Smiles: | C(c1ccccc1)NC(c1ccc2C(N(Cc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4477 |
| logD: | 5.4477 |
| logSw: | -5.8192 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.566 |
| InChI Key: | RQTFXKJUSLCQOL-UHFFFAOYSA-N |