1-(morpholin-4-yl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butan-1-one
Chemical Structure Depiction of
1-(morpholin-4-yl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butan-1-one
1-(morpholin-4-yl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butan-1-one
Compound characteristics
| Compound ID: | K280-0288 |
| Compound Name: | 1-(morpholin-4-yl)-2-{[2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butan-1-one |
| Molecular Weight: | 478.53 |
| Molecular Formula: | C23 H22 N6 O4 S |
| Smiles: | CCC(C(N1CCOCC1)=O)Sc1nc2ccccc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1995 |
| logD: | 4.1916 |
| logSw: | -4.1529 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 88.007 |
| InChI Key: | HOROMRZOUDMUSD-IBGZPJMESA-N |