N-{3-[butyl(phenyl)amino]propyl}-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[butyl(phenyl)amino]propyl}-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[butyl(phenyl)amino]propyl}-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3927 |
| Compound Name: | N-{3-[butyl(phenyl)amino]propyl}-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 584.18 |
| Molecular Formula: | C34 H34 Cl N3 O2 S |
| Smiles: | CCCCN(CCCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 8.12 |
| logD: | 8.0948 |
| logSw: | -6.2194 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.899 |
| InChI Key: | DVEXLIQWUFFHHZ-UHFFFAOYSA-N |