4-amino-1-[(3-chlorobut-2-en-1-yl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Chemical Structure Depiction of
4-amino-1-[(3-chlorobut-2-en-1-yl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
4-amino-1-[(3-chlorobut-2-en-1-yl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one
Compound characteristics
| Compound ID: | 8015-3675 |
| Compound Name: | 4-amino-1-[(3-chlorobut-2-en-1-yl)sulfanyl][1,2,4]triazolo[4,3-a]quinazolin-5(4H)-one |
| Molecular Weight: | 321.79 |
| Molecular Formula: | C13 H12 Cl N5 O S |
| Smiles: | C/C(=C\CSc1nnc2N(C(c3ccccc3n12)=O)N)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 1.8594 |
| logD: | 1.8594 |
| logSw: | -2.8676 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.361 |
| InChI Key: | YQXAMWKJCUVOPF-UHFFFAOYSA-N |