[4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Chemical Structure Depiction of
[4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
[4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone
Compound characteristics
| Compound ID: | V029-7396 |
| Compound Name: | [4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl](4-methylpiperazin-1-yl)methanone |
| Molecular Weight: | 500.06 |
| Molecular Formula: | C25 H30 Cl N5 O2 S |
| Salt: | not_available |
| Smiles: | CC(COC)n1c(c2ccccc2[Cl])nnc1SCc1ccc(cc1)C(N1CCN(C)CC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8842 |
| logD: | 2.7535 |
| logSw: | -3.6993 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.449 |
| InChI Key: | BFMQRLWRQJAKIW-SFHVURJKSA-N |