2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | 8006-3771 |
| Compound Name: | 2-(4-nitrophenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 300.33 |
| Molecular Formula: | C15 H12 N2 O3 S |
| Smiles: | C1C(c2ccc(cc2)[N+]([O-])=O)Sc2ccccc2NC1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1162 |
| logD: | 3.1162 |
| logSw: | -3.4387 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.5 |
| InChI Key: | WFOHNGHRODWGLU-AWEZNQCLSA-N |