5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | C200-7688 |
| Compound Name: | 5-oxo-N-(propan-2-yl)-4-propyl-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 345.42 |
| Molecular Formula: | C16 H19 N5 O2 S |
| Smiles: | CCCN1C2=NNC(N2c2cc(ccc2C1=O)C(NC(C)C)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.8563 |
| logD: | -5.2655 |
| logSw: | -2.7261 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.283 |
| InChI Key: | ZKOYITQVZRJHGZ-UHFFFAOYSA-N |