N-cyclopentyl-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-cyclopentyl-4-methyl-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-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: | C200-7920 |
| Compound Name: | N-cyclopentyl-4-methyl-5-oxo-1-sulfanylidene-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 343.41 |
| Molecular Formula: | C16 H17 N5 O2 S |
| Smiles: | CN1C2=NNC(N2c2cc(ccc2C1=O)C(NC1CCCC1)=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.4758 |
| logD: | -5.6666 |
| logSw: | -2.5392 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.916 |
| InChI Key: | RHGIGRMBINVXCT-UHFFFAOYSA-N |