6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 3132-1151 |
| Compound Name: | 6-amino-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 433.42 |
| Molecular Formula: | C22 H19 N5 O5 |
| Smiles: | Cc1c2C(C(C#N)=C(N)Oc2n[nH]1)c1ccc(c(COc2ccccc2[N+]([O-])=O)c1)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.017 |
| logD: | 3.017 |
| logSw: | -3.4276 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 118.576 |
| InChI Key: | DYFYFNAZTCHCBJ-FQEVSTJZSA-N |