7-chloro-4-{3-[(propan-2-yl)oxy]propyl}-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Chemical Structure Depiction of
7-chloro-4-{3-[(propan-2-yl)oxy]propyl}-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
7-chloro-4-{3-[(propan-2-yl)oxy]propyl}-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one
Compound characteristics
| Compound ID: | C200-8886 |
| Compound Name: | 7-chloro-4-{3-[(propan-2-yl)oxy]propyl}-1-sulfanylidene-2,4-dihydro[1,2,4]triazolo[4,3-a]quinazolin-5(1H)-one |
| Molecular Weight: | 352.84 |
| Molecular Formula: | C15 H17 Cl N4 O2 S |
| Smiles: | CC(C)OCCCN1C2=NNC(N2c2ccc(cc2C1=O)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 2.8725 |
| logD: | -4.1161 |
| logSw: | -3.5867 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.825 |
| InChI Key: | XQVTWTZOKDBSJM-UHFFFAOYSA-N |