11-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-3726 |
| Compound Name: | 11-ethyl-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 450.65 |
| Molecular Formula: | C26 H34 N4 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCCN1CCN(CC)CC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0252 |
| logD: | 3.077 |
| logSw: | -4.0032 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.005 |
| InChI Key: | GRFYQLCRTTXONL-UHFFFAOYSA-N |