1-[(cyanomethyl)sulfanyl]-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
1-[(cyanomethyl)sulfanyl]-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
1-[(cyanomethyl)sulfanyl]-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F472-0399 |
| Compound Name: | 1-[(cyanomethyl)sulfanyl]-N,4-bis(2-methylpropyl)-5-oxo-4,5-dihydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C20 H24 N6 O2 S |
| Smiles: | CC(C)CNC(c1ccc2C(N(CC(C)C)c3nnc(n3c2c1)SCC#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5174 |
| logD: | 2.5174 |
| logSw: | -3.0208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.032 |
| InChI Key: | OXRPUTKXUFDCDQ-UHFFFAOYSA-N |