3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-3954 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 539.01 |
| Molecular Formula: | C26 H23 Cl N4 O5 S |
| Smiles: | COCCNC(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5353 |
| logD: | 4.5353 |
| logSw: | -4.7838 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.021 |
| InChI Key: | IAHWOCZLZXELSN-UHFFFAOYSA-N |