N-butyl-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-butyl-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N-butyl-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0143 |
| Compound Name: | N-butyl-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide |
| Molecular Weight: | 436.49 |
| Molecular Formula: | C21 H20 N6 O3 S |
| Smiles: | CCCCNC(CSc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3969 |
| logD: | 4.3915 |
| logSw: | -4.2434 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.763 |
| InChI Key: | ADDFEAJBBRCPBP-UHFFFAOYSA-N |