2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide
2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | D580-1043 |
| Compound Name: | 2-[(5-{[(methanesulfonyl)(4-methylphenyl)amino]methyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[(oxolan-2-yl)methyl]acetamide |
| Molecular Weight: | 453.58 |
| Molecular Formula: | C19 H27 N5 O4 S2 |
| Smiles: | Cc1ccc(cc1)N(Cc1nnc(n1C)SCC(NCC1CCCO1)=O)S(C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.5119 |
| logD: | 0.5119 |
| logSw: | -2.2443 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.742 |
| InChI Key: | MXVVTAWVFRSIKK-MRXNPFEDSA-N |