8-(azepane-1-carbonyl)-10-[(2-chloro-6-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-(azepane-1-carbonyl)-10-[(2-chloro-6-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-(azepane-1-carbonyl)-10-[(2-chloro-6-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | C380-0597 |
| Compound Name: | 8-(azepane-1-carbonyl)-10-[(2-chloro-6-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 495.01 |
| Molecular Formula: | C27 H24 Cl F N2 O2 S |
| Smiles: | C1CCCN(CC1)C(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1467 |
| logD: | 6.1467 |
| logSw: | -6.0523 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 32.38 |
| InChI Key: | OWFAYLWAIOBXOS-UHFFFAOYSA-N |