4-(3-methylbutyl)-N-(2-methylpropyl)-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
4-(3-methylbutyl)-N-(2-methylpropyl)-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
4-(3-methylbutyl)-N-(2-methylpropyl)-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | C200-7006 |
| Compound Name: | 4-(3-methylbutyl)-N-(2-methylpropyl)-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 387.5 |
| Molecular Formula: | C19 H25 N5 O2 S |
| Smiles: | CC(C)CCN1C2=NNC(N2c2cc(ccc2C1=O)C(NCC(C)C)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 3.0769 |
| logD: | -4.0449 |
| logSw: | -3.5376 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.309 |
| InChI Key: | IYCQEFMQLMQJDA-UHFFFAOYSA-N |