4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-acetamidobenzene-1-sulfonate
Chemical Structure Depiction of
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-acetamidobenzene-1-sulfonate
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-acetamidobenzene-1-sulfonate
Compound characteristics
| Compound ID: | C472-0127 |
| Compound Name: | 4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-acetamidobenzene-1-sulfonate |
| Molecular Weight: | 554.64 |
| Molecular Formula: | C30 H22 N2 O5 S2 |
| Smiles: | CC(Nc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C1C2=C(c3ccccc3C2=Nc2ccccc2S1)O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7695 |
| logD: | 3.4477 |
| logSw: | -4.3614 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.93 |
| InChI Key: | HIYZXJPDVXJPFP-SSEXGKCCSA-N |