[4-(2,5-dimethylphenyl)piperazin-1-yl](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Chemical Structure Depiction of
[4-(2,5-dimethylphenyl)piperazin-1-yl](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
[4-(2,5-dimethylphenyl)piperazin-1-yl](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Compound characteristics
| Compound ID: | C304-1289 |
| Compound Name: | [4-(2,5-dimethylphenyl)piperazin-1-yl](11-ethyl-2-methyldibenzo[b,f][1,4]thiazepin-8-yl)methanone |
| Molecular Weight: | 469.65 |
| Molecular Formula: | C29 H31 N3 O S |
| Smiles: | CCC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6959 |
| logD: | 6.6942 |
| logSw: | -5.4892 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.8383 |
| InChI Key: | QIVHSNIOOHAQQH-UHFFFAOYSA-N |