3-(2-methoxyethyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(2-methoxyethyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
3-(2-methoxyethyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0311 |
| Compound Name: | 3-(2-methoxyethyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-(propan-2-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 456.52 |
| Molecular Formula: | C22 H24 N4 O5 S |
| Smiles: | CC(C)NC(c1ccc2C(N(CCOC)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8206 |
| logD: | 2.8206 |
| logSw: | -3.5859 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.404 |
| InChI Key: | PUJBLNTZUTWQKP-UHFFFAOYSA-N |