N-(3-chloro-4-fluorophenyl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D692-0468 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[5-(furan-2-yl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 453.88 |
| Molecular Formula: | C21 H13 Cl F N5 O2 S |
| Smiles: | C(C(Nc1ccc(c(c1)[Cl])F)=O)Sc1nnc2c3ccccc3nc(c3ccco3)n12 |
| Stereo: | ACHIRAL |
| logP: | 4.5399 |
| logD: | 4.5321 |
| logSw: | -4.6199 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.038 |
| InChI Key: | JRGDKKQMKANCFN-UHFFFAOYSA-N |