2-(furan-2-yl)-5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Chemical Structure Depiction of
2-(furan-2-yl)-5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
2-(furan-2-yl)-5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one
Compound characteristics
| Compound ID: | C714-0646 |
| Compound Name: | 2-(furan-2-yl)-5-[(4-nitrophenyl)methyl]-2,3-dihydro-1,5-benzothiazepin-4(5H)-one |
| Molecular Weight: | 380.42 |
| Molecular Formula: | C20 H16 N2 O4 S |
| Smiles: | C1C(c2ccco2)Sc2ccccc2N(Cc2ccc(cc2)[N+]([O-])=O)C1=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.508 |
| logD: | 4.508 |
| logSw: | -4.4211 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.638 |
| InChI Key: | ZLFDGQRVHCDECZ-IBGZPJMESA-N |