N-{3-[cyclohexyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[cyclohexyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[cyclohexyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C529-1043 |
| Compound Name: | N-{3-[cyclohexyl(methyl)amino]propyl}-10-[(2,5-dimethylphenyl)methyl]-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 557.76 |
| Molecular Formula: | C33 H39 N3 O3 S |
| Smiles: | Cc1ccc(C)c(CN2C(c3ccccc3S(c3ccc(cc23)C(NCCCN(C)C2CCCCC2)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 5.2008 |
| logD: | 2.676 |
| logSw: | -4.8079 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.077 |
| InChI Key: | QKRDSUPBXSCGNN-UHFFFAOYSA-N |