10-benzyl-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-benzyl-N-{3-[cyclohexyl(methyl)amino]propyl}-5,11-dioxo-10,11-dihydro-5H-5lambda~4~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-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: | C529-1571 |
| Compound Name: | 10-benzyl-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: | 529.7 |
| Molecular Formula: | C31 H35 N3 O3 S |
| Smiles: | CN(CCCNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2=O)=O)=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.1547 |
| logD: | 1.63 |
| logSw: | -4.1612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.077 |
| InChI Key: | KWOCEYUOCPMQMY-UHFFFAOYSA-N |