N-{2-[bis(2-methylpropyl)amino]ethyl}-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[bis(2-methylpropyl)amino]ethyl}-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[bis(2-methylpropyl)amino]ethyl}-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K786-3619 |
| Compound Name: | N-{2-[bis(2-methylpropyl)amino]ethyl}-10-[(3-chlorophenyl)methyl]-11-oxo-10,11-dihydrodibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 550.16 |
| Molecular Formula: | C31 H36 Cl N3 O2 S |
| Smiles: | CC(C)CN(CCNC(c1ccc2c(c1)N(Cc1cccc(c1)[Cl])C(c1ccccc1S2)=O)=O)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 7.3506 |
| logD: | 6.1676 |
| logSw: | -6.1729 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.889 |
| InChI Key: | KDEHEZVRQOPDIK-UHFFFAOYSA-N |