10-[(2-chloro-4-fluorophenyl)methyl]-8-(4-ethylpiperazine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-[(2-chloro-4-fluorophenyl)methyl]-8-(4-ethylpiperazine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-[(2-chloro-4-fluorophenyl)methyl]-8-(4-ethylpiperazine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | K786-7134 |
| Compound Name: | 10-[(2-chloro-4-fluorophenyl)methyl]-8-(4-ethylpiperazine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 510.03 |
| Molecular Formula: | C27 H25 Cl F N3 O2 S |
| Smiles: | CCN1CCN(CC1)C(c1ccc2c(c1)N(Cc1ccc(cc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.063 |
| logD: | 4.8868 |
| logSw: | -5.092 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 35.586 |
| InChI Key: | QHKPXKSUSIQCRY-UHFFFAOYSA-N |