4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzene-1-sulfonate
Chemical Structure Depiction of
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzene-1-sulfonate
4-(12-hydroxy-11H-benzo[b]indeno[1,2-e][1,4]thiazepin-11-yl)phenyl 4-methylbenzene-1-sulfonate
Compound characteristics
Compound ID: | C472-0126 |
Compound Name: | 4-(12-hydroxy-11H-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=Nc2ccccc2S1)O |
Stereo: | RACEMIC MIXTURE |
logP: | 5.9917 |
logD: | 4.6699 |
logSw: | -5.6729 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 58.668 |
InChI Key: | VLEAKXNBYSUDBQ-GDLZYMKVSA-N |