2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-9682 |
| Compound Name: | 2-methoxyethyl 4-[4-(4-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 495.64 |
| Molecular Formula: | C27 H33 N3 O4 S |
| Salt: | not_available |
| Smiles: | CCCCc1ccc(cc1)C(Nc1ccc(cc1)C1C(=C(C)N(C)C(N1)=S)C(=O)OCCOC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3246 |
| logD: | 4.3245 |
| logSw: | -4.2077 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.994 |
| InChI Key: | DEBCOOLVTQPDQB-XMMPIXPASA-N |