N,N-diethyl-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N,N-diethyl-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
N,N-diethyl-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | K280-0289 |
| Compound Name: | N,N-diethyl-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: | CCN(CC)C(CSc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2053 |
| logD: | 4.1999 |
| logSw: | -4.1362 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 78.855 |
| InChI Key: | MOHIXEISDBZMDG-UHFFFAOYSA-N |