N-(butan-2-yl)-1-[(cyanomethyl)sulfanyl]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-1-[(cyanomethyl)sulfanyl]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-1-[(cyanomethyl)sulfanyl]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0059 |
| Compound Name: | N-(butan-2-yl)-1-[(cyanomethyl)sulfanyl]-5-oxo-4-propyl-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 398.49 |
| Molecular Formula: | C19 H22 N6 O2 S |
| Smiles: | CCCN1C(c2ccc(cc2n2c1nnc2SCC#N)C(NC(C)CC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7599 |
| logD: | 1.7599 |
| logSw: | -2.7246 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.452 |
| InChI Key: | SXLIBXFZRCDHAJ-LBPRGKRZSA-N |