10-[(3-chlorophenyl)methyl]-N-{3-[cyclohexyl(methyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-[(3-chlorophenyl)methyl]-N-{3-[cyclohexyl(methyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-[(3-chlorophenyl)methyl]-N-{3-[cyclohexyl(methyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-8412 |
| Compound Name: | 10-[(3-chlorophenyl)methyl]-N-{3-[cyclohexyl(methyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 564.15 |
| Molecular Formula: | C31 H34 Cl N3 O3 S |
| Smiles: | CN(CCCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2=O)=O)=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8102 |
| logD: | 2.2854 |
| logSw: | -4.7347 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.077 |
| InChI Key: | JBTPAIDXULJIBC-UHFFFAOYSA-N |