ethyl 4-[2-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[2-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-[2-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8006-5199 |
| Compound Name: | ethyl 4-[2-(2-methoxy-2-oxoethoxy)naphthalen-1-yl]-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C21 H22 N2 O5 S |
| Smiles: | CCOC(C1C(c2c(ccc3ccccc23)OCC(=O)OC)NC(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.867 |
| logD: | 2.8524 |
| logSw: | -3.4721 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.321 |
| InChI Key: | VLMQIGDFNVZPNC-LJQANCHMSA-N |