methyl 1-ethyl-6-methyl-4-[3-(phenylcarbamamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-6-methyl-4-[3-(phenylcarbamamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-ethyl-6-methyl-4-[3-(phenylcarbamamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V029-1169 |
| Compound Name: | methyl 1-ethyl-6-methyl-4-[3-(phenylcarbamamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(Nc2ccccc2)=O)NC1=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0561 |
| logD: | 4.056 |
| logSw: | -4.1063 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.949 |
| InChI Key: | RDRFNCSXUBAXQA-LJQANCHMSA-N |