N-(butan-2-yl)-1-[(cyanomethyl)sulfanyl]-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-[(cyanomethyl)sulfanyl]-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-1-[(cyanomethyl)sulfanyl]-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0775 |
| Compound Name: | N-(butan-2-yl)-1-[(cyanomethyl)sulfanyl]-4-methyl-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 370.43 |
| Molecular Formula: | C17 H18 N6 O2 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(C)c3nnc(n3c2c1)SCC#N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6561 |
| logD: | 0.6561 |
| logSw: | -2.5144 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.239 |
| InChI Key: | TYURTRJGNAJYBP-JTQLQIEISA-N |