11-ethyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0275 |
| Compound Name: | 11-ethyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C22 H26 N2 O2 S |
| Smiles: | CCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCCOC(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1535 |
| logD: | 4.1532 |
| logSw: | -4.1796 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.958 |
| InChI Key: | XECAJGZPNVXVBJ-UHFFFAOYSA-N |