N-(1-benzylpiperidin-4-yl)-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-(1-benzylpiperidin-4-yl)-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-(1-benzylpiperidin-4-yl)-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-3661 |
| Compound Name: | N-(1-benzylpiperidin-4-yl)-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 469.65 |
| Molecular Formula: | C29 H31 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NC1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8082 |
| logD: | 4.363 |
| logSw: | -5.4193 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 35.91 |
| InChI Key: | JRSXEPSLPRHDRE-UHFFFAOYSA-N |