2,2-dimethyl-4-[2-(4-nitrophenyl)ethenyl]-2,3-dihydro-1,5-benzothiazepine
Chemical Structure Depiction of
2,2-dimethyl-4-[2-(4-nitrophenyl)ethenyl]-2,3-dihydro-1,5-benzothiazepine
2,2-dimethyl-4-[2-(4-nitrophenyl)ethenyl]-2,3-dihydro-1,5-benzothiazepine
Compound characteristics
| Compound ID: | 7670-0616 |
| Compound Name: | 2,2-dimethyl-4-[2-(4-nitrophenyl)ethenyl]-2,3-dihydro-1,5-benzothiazepine |
| Molecular Weight: | 338.43 |
| Molecular Formula: | C19 H18 N2 O2 S |
| Smiles: | CC1(C)CC(/C=C/c2ccc(cc2)[N+]([O-])=O)=Nc2ccccc2S1 |
| Stereo: | ACHIRAL |
| logP: | 5.3554 |
| logD: | 5.3554 |
| logSw: | -5.4726 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 42.415 |
| InChI Key: | YQVQVKNMFPJZAZ-UHFFFAOYSA-N |