N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl}-4-nitrobenzamide
Chemical Structure Depiction of
N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl}-4-nitrobenzamide
N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl}-4-nitrobenzamide
Compound characteristics
| Compound ID: | 1501-1174 |
| Compound Name: | N-{3-[(1,1-dioxo-1lambda~6~-thiolan-3-yl)amino]-3-oxo-1-phenylprop-1-en-2-yl}-4-nitrobenzamide |
| Molecular Weight: | 429.45 |
| Molecular Formula: | C20 H19 N3 O6 S |
| Smiles: | C1CS(CC1NC(/C(=C\c1ccccc1)NC(c1ccc(cc1)[N+]([O-])=O)=O)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5033 |
| logD: | 0.3197 |
| logSw: | -2.4164 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.12 |
| InChI Key: | XQGKASZGYZCJMQ-MRXNPFEDSA-N |