N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0015502 |
| Compound Name: | N-benzyl-N-methyl-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-phenyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 536.61 |
| Molecular Formula: | C30 H24 N4 O4 S |
| Smiles: | CN(Cc1ccccc1)C(c1ccc2C(N(C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8741 |
| logD: | 4.8739 |
| logSw: | -4.6706 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 74.691 |
| InChI Key: | WYELGXGMLONOHW-UHFFFAOYSA-N |