N-(3-methoxypropyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-methoxypropyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-(3-methoxypropyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0145 |
| Compound Name: | N-(3-methoxypropyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C21 H20 N6 O4 S |
| Smiles: | COCCCNC(CSc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2767 |
| logD: | 3.2713 |
| logSw: | -3.5564 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.105 |
| InChI Key: | JUALVNGEFZCPBV-UHFFFAOYSA-N |