2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide
Chemical Structure Depiction of
2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide
2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K280-0214 |
| Compound Name: | 2-{[2-(3-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}-N-[(pyridin-3-yl)methyl]butanamide |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C25 H21 N7 O3 S |
| Smiles: | CCC(C(NCc1cccnc1)=O)Sc1nc2ccccc2c2nc(c3cccc(c3)[N+]([O-])=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.319 |
| logD: | 4.3166 |
| logSw: | -4.2472 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.381 |
| InChI Key: | UMQVRIPFMDSBJA-NRFANRHFSA-N |