5-[(4-nitrophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
5-[(4-nitrophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
5-[(4-nitrophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C714-0484 |
| Compound Name: | 5-[(4-nitrophenyl)methyl]-2-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C25 H24 N2 O6 S |
| Smiles: | COc1cc(cc(c1OC)OC)C1CC(N(Cc2ccc(cc2)[N+]([O-])=O)c2ccccc2S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0369 |
| logD: | 5.0369 |
| logSw: | -4.7082 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 72.038 |
| InChI Key: | PGUUIZOOXWWHFT-QHCPKHFHSA-N |