(2-chloro-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2-chloro-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
(2-chloro-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | C304-0813 |
| Compound Name: | (2-chloro-11-ethyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 490.07 |
| Molecular Formula: | C28 H28 Cl N3 O S |
| Smiles: | CCC1c2cc(ccc2Sc2ccc(cc2N=1)C(N1CCN(CC1)c1cc(C)ccc1C)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.9703 |
| logD: | 6.9695 |
| logSw: | -6.1871 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8383 |
| InChI Key: | CZHHETDCANYWEZ-UHFFFAOYSA-N |