N-(2-methylpropyl)-5-oxo-4-propyl-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-(2-methylpropyl)-5-oxo-4-propyl-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-(2-methylpropyl)-5-oxo-4-propyl-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | C200-7691 |
| Compound Name: | N-(2-methylpropyl)-5-oxo-4-propyl-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 359.45 |
| Molecular Formula: | C17 H21 N5 O2 S |
| Smiles: | CCCN1C2=NNC(N2c2cc(ccc2C1=O)C(NCC(C)C)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 2.2876 |
| logD: | -4.8342 |
| logSw: | -3.0188 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.309 |
| InChI Key: | UQCRYHJRSPBBBO-UHFFFAOYSA-N |