1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one
Compound characteristics
| Compound ID: | G195-0865 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-{[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanyl}pyrazin-2(1H)-one |
| Molecular Weight: | 440.47 |
| Molecular Formula: | C22 H20 N2 O6 S |
| Smiles: | COc1ccc(cc1OC)C(CSC1C(N(C=CN=1)c1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2095 |
| logD: | 1.2095 |
| logSw: | -2.3576 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 67.974 |
| InChI Key: | YJJIKZJAFRZMBV-UHFFFAOYSA-N |