{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-({[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]methanone
Chemical Structure Depiction of
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-({[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]methanone
{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-({[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]methanone
Compound characteristics
| Compound ID: | V009-7227 |
| Compound Name: | {4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}[2-({[4-(5-chloro-2-methylphenyl)-5-(2-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1,3-thiazol-4-yl]methanone |
| Molecular Weight: | 679.65 |
| Molecular Formula: | C32 H28 Cl2 N6 O3 S2 |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1n1c(c2ccccc2[Cl])nnc1SCc1nc(cs1)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.6775 |
| logD: | 6.4842 |
| logSw: | -6.135 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 72.217 |
| InChI Key: | JZHGKYZSEDNLSE-UHFFFAOYSA-N |