N-(3-methoxypropyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-(3-methoxypropyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide
N-(3-methoxypropyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | K280-0146 |
| Compound Name: | N-(3-methoxypropyl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide |
| Molecular Weight: | 480.54 |
| Molecular Formula: | C23 H24 N6 O4 S |
| Smiles: | CCC(C(NCCCOC)=O)Sc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4606 |
| logD: | 4.4527 |
| logSw: | -4.3098 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.319 |
| InChI Key: | TUEBNNPDDPSSJC-IBGZPJMESA-N |