2-(4-methoxyphenyl)-5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2-(4-methoxyphenyl)-5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2-(4-methoxyphenyl)-5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C714-0322 |
| Compound Name: | 2-(4-methoxyphenyl)-5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 420.49 |
| Molecular Formula: | C23 H20 N2 O4 S |
| Smiles: | COc1ccc(cc1)C1CC(N(Cc2ccc(cc2)[N+]([O-])=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3199 |
| logD: | 5.3199 |
| logSw: | -5.2502 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 56.604 |
| InChI Key: | SILBFNCYLJPXSX-QFIPXVFZSA-N |