10-[(2-chloro-6-fluorophenyl)methyl]-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
10-[(2-chloro-6-fluorophenyl)methyl]-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
10-[(2-chloro-6-fluorophenyl)methyl]-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0601 |
| Compound Name: | 10-[(2-chloro-6-fluorophenyl)methyl]-8-(pyrrolidine-1-carbonyl)dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 466.96 |
| Molecular Formula: | C25 H20 Cl F N2 O2 S |
| Smiles: | C1CCN(C1)C(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3635 |
| logD: | 5.3635 |
| logSw: | -5.7948 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.415 |
| InChI Key: | YUWIJOWMWQRRSA-UHFFFAOYSA-N |