10-benzyl-N-{3-[cyclohexyl(methyl)amino]propyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
10-benzyl-N-{3-[cyclohexyl(methyl)amino]propyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
10-benzyl-N-{3-[cyclohexyl(methyl)amino]propyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C530-1967 |
| Compound Name: | 10-benzyl-N-{3-[cyclohexyl(methyl)amino]propyl}-5,5,11-trioxo-10,11-dihydro-5H-5lambda~6~-dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 545.7 |
| Molecular Formula: | C31 H35 N3 O4 S |
| Smiles: | CN(CCCNC(c1ccc2c(c1)N(Cc1ccccc1)C(c1ccccc1S2(=O)=O)=O)=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2843 |
| logD: | 1.7596 |
| logSw: | -4.1616 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.673 |
| InChI Key: | WMPHIQFJVGHIAS-UHFFFAOYSA-N |