N-(2-methoxyethyl)-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-(2-methoxyethyl)-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V029-7977 |
| Compound Name: | N-(2-methoxyethyl)-3-({[5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 422.55 |
| Molecular Formula: | C23 H26 N4 O2 S |
| Salt: | not_available |
| Smiles: | Cc1ccc(cc1)c1nnc(n1CC=C)SCc1cccc(c1)C(NCCOC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0708 |
| logD: | 4.0708 |
| logSw: | -4.029 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.088 |
| InChI Key: | XDMODMVMMIGWET-UHFFFAOYSA-N |