3-(4-methoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(4-methoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
3-(4-methoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G858-0221 |
| Compound Name: | 3-(4-methoxyphenyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 504.56 |
| Molecular Formula: | C26 H24 N4 O5 S |
| Smiles: | CC(C)NC(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)c1ccc(cc1)OC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9928 |
| logD: | 3.9928 |
| logSw: | -4.2623 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.744 |
| InChI Key: | BYCMEEOOPDUVTF-UHFFFAOYSA-N |