4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzene-1-sulfonate
4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
| Compound ID: | Y020-6005 |
| Compound Name: | 4-(12-oxo-11,12-dihydro-5H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzene-1-sulfonate |
| Molecular Weight: | 511.62 |
| Molecular Formula: | C29 H21 N O4 S2 |
| Smiles: | Cc1ccc(cc1)S(=O)(=O)Oc1ccc(cc1)C1C2=C(c3ccccc3C2=O)Nc2ccccc2S1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5991 |
| logD: | 6.5991 |
| logSw: | -5.8034 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.514 |
| InChI Key: | APRFKUDYCVSXSU-GDLZYMKVSA-N |