11-ethyl-2-methyl-N-[2-(pyrrolidin-1-yl)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-2-methyl-N-[2-(pyrrolidin-1-yl)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-2-methyl-N-[2-(pyrrolidin-1-yl)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0691 |
| Compound Name: | 11-ethyl-2-methyl-N-[2-(pyrrolidin-1-yl)ethyl]dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 393.55 |
| Molecular Formula: | C23 H27 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCN1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3866 |
| logD: | 2.9784 |
| logSw: | -4.134 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.834 |
| InChI Key: | HODPLEGLZDUXND-UHFFFAOYSA-N |