N-butyl-10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-butyl-10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-butyl-10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C380-0582 |
| Compound Name: | N-butyl-10-[(2-chloro-6-fluorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 468.98 |
| Molecular Formula: | C25 H22 Cl F N2 O2 S |
| Smiles: | CCCCNC(c1ccc2c(c1)N(Cc1c(cccc1[Cl])F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1322 |
| logD: | 6.1322 |
| logSw: | -5.8468 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.927 |
| InChI Key: | ZRAUWSYTQZVIQP-UHFFFAOYSA-N |