[4-(5-chloro-2-methylphenyl)piperazin-1-yl](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Chemical Structure Depiction of
[4-(5-chloro-2-methylphenyl)piperazin-1-yl](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
[4-(5-chloro-2-methylphenyl)piperazin-1-yl](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Compound characteristics
| Compound ID: | C304-1290 |
| Compound Name: | [4-(5-chloro-2-methylphenyl)piperazin-1-yl](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone |
| Molecular Weight: | 490.07 |
| Molecular Formula: | C28 H28 Cl N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(N1CCN(CC1)c1cc(ccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.8206 |
| logD: | 6.8188 |
| logSw: | -6.1541 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8383 |
| InChI Key: | MXBYAJDLEKTTCU-UHFFFAOYSA-N |