3-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
3-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | G836-0371 |
| Compound Name: | 3-(2-methylpropyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4-oxo-N-propyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 454.55 |
| Molecular Formula: | C23 H26 N4 O4 S |
| Smiles: | CCCNC(c1ccc2C(N(CC(C)C)C(=Nc2c1)SCc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0987 |
| logD: | 4.0987 |
| logSw: | -4.2029 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.951 |
| InChI Key: | DSUOHCVUDCWNDX-UHFFFAOYSA-N |