3,5-dimethyl-4-[(6-methyl-3-oxo-4-sulfanylidene-4,5-dihydrofuro[3,4-c]pyridin-1(3H)-ylidene)methyl]-1H-pyrrole-2-carbonitrile
Chemical Structure Depiction of
3,5-dimethyl-4-[(6-methyl-3-oxo-4-sulfanylidene-4,5-dihydrofuro[3,4-c]pyridin-1(3H)-ylidene)methyl]-1H-pyrrole-2-carbonitrile
3,5-dimethyl-4-[(6-methyl-3-oxo-4-sulfanylidene-4,5-dihydrofuro[3,4-c]pyridin-1(3H)-ylidene)methyl]-1H-pyrrole-2-carbonitrile
Compound characteristics
| Compound ID: | 8013-2853 |
| Compound Name: | 3,5-dimethyl-4-[(6-methyl-3-oxo-4-sulfanylidene-4,5-dihydrofuro[3,4-c]pyridin-1(3H)-ylidene)methyl]-1H-pyrrole-2-carbonitrile |
| Molecular Weight: | 311.36 |
| Molecular Formula: | C16 H13 N3 O2 S |
| Smiles: | CC1=CC2/C(=C/c3c(C)c(C#N)[nH]c3C)OC(C=2C(N1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2232 |
| logD: | -0.2823 |
| logSw: | -2.7196 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.238 |
| InChI Key: | KDHPQGOOBGWHPN-UHFFFAOYSA-N |