2-methoxyethyl 4-[3-(4-tert-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methoxyethyl 4-[3-(4-tert-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methoxyethyl 4-[3-(4-tert-butylbenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | V013-0296 |
Compound Name: | 2-methoxyethyl 4-[3-(4-tert-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 |
Smiles: | CC1=C(C(c2cccc(c2)NC(c2ccc(cc2)C(C)(C)C)=O)NC(N1C)=S)C(=O)OCCOC |
Stereo: | RACEMIC MIXTURE |
logP: | 4.3703 |
logD: | 4.37 |
logSw: | -4.3125 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 66.994 |
InChI Key: | DFXYMNYBBLHEOA-UHFFFAOYSA-N |