8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(2-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Chemical Structure Depiction of
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(2-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(2-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one
Compound characteristics
| Compound ID: | K788-3234 |
| Compound Name: | 8-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10-[(2-fluorophenyl)methyl]dibenzo[b,f][1,4]thiazepin-11(10H)-one |
| Molecular Weight: | 581.67 |
| Molecular Formula: | C33 H28 F N3 O4 S |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(c1ccc2c(c1)N(Cc1ccccc1F)C(c1ccccc1S2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5032 |
| logD: | 5.3117 |
| logSw: | -5.8365 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 52.705 |
| InChI Key: | VZKKGJAUHJVLAO-UHFFFAOYSA-N |