10-[(4-chlorophenyl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(4-chlorophenyl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(4-chlorophenyl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-4106 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-N-{3-[ethyl(3-methylphenyl)amino]propyl}-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 570.15 |
| Molecular Formula: | C33 H32 Cl N3 O2 S |
| Smiles: | CCN(CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2)=O)=O)c1cccc(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 7.5877 |
| logD: | 7.5594 |
| logSw: | -6.176 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.645 |
| InChI Key: | BWYWTLSIRFWRAP-UHFFFAOYSA-N |