methyl 1-ethyl-6-methyl-4-{3-[(2-phenylcyclopropane-1-carbonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-6-methyl-4-{3-[(2-phenylcyclopropane-1-carbonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-ethyl-6-methyl-4-{3-[(2-phenylcyclopropane-1-carbonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-5819 |
| Compound Name: | methyl 1-ethyl-6-methyl-4-{3-[(2-phenylcyclopropane-1-carbonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 449.57 |
| Molecular Formula: | C25 H27 N3 O3 S |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(C2CC2c2ccccc2)=O)NC1=S)C(=O)OC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.2109 |
| logD: | 4.2107 |
| logSw: | -4.2803 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.988 |
| InChI Key: | ABMGCTMZBGNOHT-UHFFFAOYSA-N |