N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide
Chemical Structure Depiction of
N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide
N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide
Compound characteristics
| Compound ID: | C445-0159 |
| Compound Name: | N-cyclohexyl-2-{[8,9-dimethoxy-2-(4-nitrophenyl)[1,2,4]triazolo[1,5-c]quinazolin-5-yl]sulfanyl}butanamide |
| Molecular Weight: | 550.64 |
| Molecular Formula: | C27 H30 N6 O5 S |
| Smiles: | CCC(C(NC1CCCCC1)=O)Sc1nc2cc(c(cc2c2nc(c3ccc(cc3)[N+]([O-])=O)nn12)OC)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8136 |
| logD: | 5.8043 |
| logSw: | -5.4987 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.85 |
| InChI Key: | MGYLPVPNZDACRS-QHCPKHFHSA-N |