N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-0672 |
| Compound Name: | N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-11-ethyl-2-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 533.14 |
| Molecular Formula: | C30 H33 Cl N4 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0813 |
| logD: | 5.5374 |
| logSw: | -5.8923 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.728 |
| InChI Key: | DRFCMOSHAIMDHG-UHFFFAOYSA-N |