N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-7423 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(2-chlorophenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 551.06 |
| Molecular Formula: | C28 H27 Cl N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(COC)n1c(c2ccccc2[Cl])nnc1SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5641 |
| logD: | 4.5641 |
| logSw: | -4.5903 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.853 |
| InChI Key: | MVXPWFSBBQLVPB-SFHVURJKSA-N |