N-(3-cyano-4,5-dimethyl-1H-pyrrol-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-dimethyl-1H-pyrrol-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide
N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8019-4367 |
| Compound Name: | N-(3-cyano-4,5-dimethyl-1H-pyrrol-2-yl)-2-[(6-methyl-5-oxo-4,5-dihydro-1,2,4-triazin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 318.35 |
| Molecular Formula: | C13 H14 N6 O2 S |
| Smiles: | CC1C(NC(=NN=1)SCC(Nc1c(C#N)c(C)c(C)[nH]1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7133 |
| logD: | 0.4807 |
| logSw: | -1.6691 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.297 |
| InChI Key: | BDZWTAMNPSAWPF-UHFFFAOYSA-N |