6-amino-4-[4-(methylsulfanyl)phenyl]-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Chemical Structure Depiction of
6-amino-4-[4-(methylsulfanyl)phenyl]-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
6-amino-4-[4-(methylsulfanyl)phenyl]-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Compound characteristics
| Compound ID: | 3394-0199 |
| Compound Name: | 6-amino-4-[4-(methylsulfanyl)phenyl]-3-(3-nitrophenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile |
| Molecular Weight: | 405.43 |
| Molecular Formula: | C20 H15 N5 O3 S |
| Smiles: | CSc1ccc(cc1)C1C(C#N)=C(N)Oc2c1c(c1cccc(c1)[N+]([O-])=O)n[nH]2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6863 |
| logD: | 3.6863 |
| logSw: | -4.2973 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.855 |
| InChI Key: | VHBCDSHBNCHEAO-INIZCTEOSA-N |