N-{3-[benzyl(propan-2-yl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[benzyl(propan-2-yl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[benzyl(propan-2-yl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0683 |
| Compound Name: | N-{3-[benzyl(propan-2-yl)amino]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 485.69 |
| Molecular Formula: | C30 H35 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCCN(Cc1ccccc1)C(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3392 |
| logD: | 4.3929 |
| logSw: | -5.3885 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.083 |
| InChI Key: | DZKNBSRFUHQZCQ-UHFFFAOYSA-N |