8-(4-benzylpiperazine-1-carbonyl)-10-[(2-chloro-4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(4-benzylpiperazine-1-carbonyl)-10-[(2-chloro-4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(4-benzylpiperazine-1-carbonyl)-10-[(2-chloro-4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | K786-7125 |
| Compound Name: | 8-(4-benzylpiperazine-1-carbonyl)-10-[(2-chloro-4-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 572.1 |
| Molecular Formula: | C32 H27 Cl F N3 O2 S |
| Smiles: | C1CN(CCN1Cc1ccccc1)C(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2165 |
| logD: | 6.2011 |
| logSw: | -6.0859 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.589 |
| InChI Key: | KKTRSWIGCQNNLM-UHFFFAOYSA-N |