5-[(4-nitrophenyl)methyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-[(4-nitrophenyl)methyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[(4-nitrophenyl)methyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C714-0241 |
| Compound Name: | 5-[(4-nitrophenyl)methyl]-2-phenyl-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C22 H18 N2 O3 S |
| Smiles: | C1C(c2ccccc2)Sc2ccccc2N(Cc2ccc(cc2)[N+]([O-])=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3418 |
| logD: | 5.3418 |
| logSw: | -5.5672 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 49.06 |
| InChI Key: | HFEMKZMECWIOJG-NRFANRHFSA-N |