N-(2H-1,3-benzodioxol-5-yl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-(2H-1,3-benzodioxol-5-yl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D580-0338 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C21 H23 N5 O5 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(Nc1ccc2c(c1)OCO2)=O)S(C)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2082 |
| logD: | 2.2082 |
| logSw: | -2.9788 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.881 |
| InChI Key: | VUHBOHQIHNMEPU-UHFFFAOYSA-N |