N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Chemical Structure Depiction of
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide
Compound characteristics
| Compound ID: | C304-4777 |
| Compound Name: | N-{2-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]ethyl}-11-propyldibenzo[b,f][1,4]thiazepine-8-carboxamide |
| Molecular Weight: | 533.14 |
| Molecular Formula: | C30 H33 Cl N4 O S |
| Smiles: | CCCC1c2ccccc2Sc2ccc(cc2N=1)C(NCCN1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.6264 |
| logD: | 6.5133 |
| logSw: | -6.0481 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.427 |
| InChI Key: | IKXPVIXGMYNXQW-UHFFFAOYSA-N |