10-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-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-[(4-chlorophenyl)methyl]-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: | C530-1043 |
| Compound Name: | 10-[(4-chlorophenyl)methyl]-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: | 580.15 |
| Molecular Formula: | C31 H34 Cl N3 O4 S |
| Smiles: | CN(CCCNC(c1ccc2c(c1)N(Cc1ccc(cc1)[Cl])C(c1ccccc1S2(=O)=O)=O)=O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.8791 |
| logD: | 2.3543 |
| logSw: | -4.8497 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.673 |
| InChI Key: | PUXUIXQOXURORP-UHFFFAOYSA-N |