(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
Chemical Structure Depiction of
(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone
Compound characteristics
| Compound ID: | C304-1170 |
| Compound Name: | (2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)[4-(2,5-dimethylphenyl)piperazin-1-yl]methanone |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C28 H29 N3 O S |
| Smiles: | CC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(N1CCN(CC1)c1cc(C)ccc1C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3449 |
| logD: | 6.3442 |
| logSw: | -5.3941 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 27.108 |
| InChI Key: | KRHZOBWQDIKUFI-UHFFFAOYSA-N |