2-chloro-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
2-chloro-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
2-chloro-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | K788-1373 |
| Compound Name: | 2-chloro-N-{3-[4-(3-chlorophenyl)piperazin-1-yl]propyl}-11-methyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 539.53 |
| Molecular Formula: | C28 H28 Cl2 N4 O S |
| Smiles: | CC1c2cc(ccc2Sc2ccc(cc2N=1)C(NCCCN1CCN(CC1)c1cccc(c1)[Cl])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.0046 |
| logD: | 5.4607 |
| logSw: | -5.9223 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.998 |
| InChI Key: | ANDBRSDSVBQREB-UHFFFAOYSA-N |