4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl benzoate
Chemical Structure Depiction of
4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl benzoate
4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl benzoate
Compound characteristics
| Compound ID: | Y020-5485 |
| Compound Name: | 4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl benzoate |
| Molecular Weight: | 461.54 |
| Molecular Formula: | C29 H19 N O3 S |
| Smiles: | c1ccc(cc1)C(=O)Oc1ccc(cc1)C1C2=C(c3ccccc3C2=O)Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2467 |
| logD: | 6.2467 |
| logSw: | -6.0571 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.13 |
| InChI Key: | IPSJCNKJXWILFY-MUUNZHRXSA-N |