N-[3-(morpholin-4-yl)propyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[3-(morpholin-4-yl)propyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
N-[3-(morpholin-4-yl)propyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-4566 |
| Compound Name: | N-[3-(morpholin-4-yl)propyl]-2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-3-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 567.66 |
| Molecular Formula: | C28 H33 N5 O6 S |
| Smiles: | C(CNC(c1ccc2C(N(CC3CCCO3)C(=Nc2c1)SCc1cccc(c1)[N+]([O-])=O)=O)=O)CN1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.086 |
| logD: | 1.6977 |
| logSw: | -2.9427 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.953 |
| InChI Key: | WUGSWFXRWZVCFP-HSZRJFAPSA-N |