N-(butan-2-yl)-4-methyl-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(butan-2-yl)-4-methyl-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(butan-2-yl)-4-methyl-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | C200-7919 |
| Compound Name: | N-(butan-2-yl)-4-methyl-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C15 H17 N5 O2 S |
| Smiles: | CCC(C)NC(c1ccc2C(N(C)C3=NNC(N3c2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8783 |
| logD: | -6.2642 |
| logSw: | -2.5552 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.538 |
| InChI Key: | WRJUZLWQEIMRIC-QMMMGPOBSA-N |