2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-propyl-3,4-dihydroquinazoline-7-carboxamide
2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0095 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-(2-phenylethyl)-N-propyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C27 H26 N4 O4 S |
| Smiles: | CCCNC(c1ccc2C(N(CCc3ccccc3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7726 |
| logD: | 4.7726 |
| logSw: | -4.4301 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.657 |
| InChI Key: | FGMGZITUYHCDET-UHFFFAOYSA-N |