N-[(4-methylphenyl)methyl]-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-[(4-methylphenyl)methyl]-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E513-0853 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 382.5 |
| Molecular Formula: | C19 H18 N4 O S2 |
| Smiles: | Cc1ccc(CNC(CSc2c3cc4c(ccs4)n3c(C)nn2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.2154 |
| logD: | 3.2133 |
| logSw: | -3.204 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.586 |
| InChI Key: | DOXMMQQEFMXYKZ-UHFFFAOYSA-N |