methyl 1-ethyl-6-methyl-4-{3-[(2-methylphenyl)carbamamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-ethyl-6-methyl-4-{3-[(2-methylphenyl)carbamamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-ethyl-6-methyl-4-{3-[(2-methylphenyl)carbamamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V026-5552 |
| Compound Name: | methyl 1-ethyl-6-methyl-4-{3-[(2-methylphenyl)carbamamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(Nc2ccccc2C)=O)NC1=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0436 |
| logD: | 4.0435 |
| logSw: | -4.0964 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 67.251 |
| InChI Key: | POUWWTOLTLDRAQ-HXUWFJFHSA-N |