6-methyl-1-{[3-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-4-sulfanylidene-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
Chemical Structure Depiction of
6-methyl-1-{[3-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-4-sulfanylidene-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
6-methyl-1-{[3-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-4-sulfanylidene-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one
Compound characteristics
| Compound ID: | 8016-8666 |
| Compound Name: | 6-methyl-1-{[3-(3-nitrophenyl)-1H-pyrazol-4-yl]methylidene}-4-sulfanylidene-4,5-dihydrofuro[3,4-c]pyridin-3(1H)-one |
| Molecular Weight: | 380.38 |
| Molecular Formula: | C18 H12 N4 O4 S |
| Smiles: | CC1=CC2/C(=C/c3c[nH]nc3c3cccc(c3)[N+]([O-])=O)OC(C=2C(N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8326 |
| logD: | 0.3271 |
| logSw: | -3.5585 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.276 |
| InChI Key: | XZPPUOAABVCOND-UHFFFAOYSA-N |