4-(3-methylphenyl)-N-(4-nitrophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
Chemical Structure Depiction of
4-(3-methylphenyl)-N-(4-nitrophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
4-(3-methylphenyl)-N-(4-nitrophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide
Compound characteristics
| Compound ID: | V010-7495 |
| Compound Name: | 4-(3-methylphenyl)-N-(4-nitrophenyl)-3-oxo-1-thia-4,8-diazaspiro[4.5]decane-8-carboxamide |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | Cc1cccc(c1)N1C(CSC12CCN(CC2)C(Nc1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3629 |
| logD: | 3.3628 |
| logSw: | -3.6243 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.77 |
| InChI Key: | LQPLPANWMKPCNT-UHFFFAOYSA-N |