N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8006-4185 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C15 H15 N5 O2 S2 |
| Smiles: | CC1C(NC(=NN=1)SCC(Nc1c(C#N)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1973 |
| logD: | 1.258 |
| logSw: | -2.4035 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.161 |
| InChI Key: | ZISBQMGLRRXYKE-UHFFFAOYSA-N |