2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-pentyl-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-1290 |
| Compound Name: | 2-{[(3-nitrophenyl)methyl]sulfanyl}-4-oxo-N-[(oxolan-2-yl)methyl]-3-pentyl-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C26 H30 N4 O5 S |
| Smiles: | CCCCCN1C(=Nc2cc(ccc2C1=O)C(NCC1CCCO1)=O)SCc1cccc(c1)[N+]([O-])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3073 |
| logD: | 4.3073 |
| logSw: | -4.2295 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.47 |
| InChI Key: | CPKUFFHKDXHTQC-OAQYLSRUSA-N |