(4-benzylpiperazin-1-yl)(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Chemical Structure Depiction of
(4-benzylpiperazin-1-yl)(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
(4-benzylpiperazin-1-yl)(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone
Compound characteristics
| Compound ID: | C304-1180 |
| Compound Name: | (4-benzylpiperazin-1-yl)(2,11-dimethyldibenzo[b,f][1,4]thiazepin-8-yl)methanone |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C27 H27 N3 O S |
| Smiles: | CC1c2cc(C)ccc2Sc2ccc(cc2N=1)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.868 |
| logD: | 4.8526 |
| logSw: | -4.5 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 27.689 |
| InChI Key: | JKPVTITVLAFROI-UHFFFAOYSA-N |