2-bromo-11-ethyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-bromo-11-ethyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
2-bromo-11-ethyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-2179 |
| Compound Name: | 2-bromo-11-ethyl-N-{3-[(propan-2-yl)oxy]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 461.42 |
| Molecular Formula: | C22 H25 Br N2 O2 S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCCOC(C)C)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.2088 |
| logD: | 5.2087 |
| logSw: | -4.8702 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.958 |
| InChI Key: | IMFSEYDGUQZYIM-UHFFFAOYSA-N |