11-ethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
11-ethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
11-ethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-0301 |
| Compound Name: | 11-ethyl-N-{3-[4-(2-fluorophenyl)piperazin-1-yl]propyl}dibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 502.65 |
| Molecular Formula: | C29 H31 F N4 O S |
| Smiles: | CCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCCN1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0917 |
| logD: | 4.7905 |
| logSw: | -4.7044 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.427 |
| InChI Key: | DXDGRYDINFCOEL-UHFFFAOYSA-N |