10-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0569 |
| Compound Name: | 10-[(2-chloro-6-fluorophenyl)methyl]-N-[(1-ethylpyrrolidin-2-yl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 524.06 |
| Molecular Formula: | C28 H27 Cl F N3 O2 S |
| Smiles: | [H]N(CC1CCCN1CC)C(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.315 |
| logD: | 4.7746 |
| logSw: | -5.6436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.721 |
| InChI Key: | CFHYUWWCZCVLLA-LJQANCHMSA-N |