ethyl 4-{4-[(adamantan-1-yl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{4-[(adamantan-1-yl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-{4-[(adamantan-1-yl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-5350 |
| Compound Name: | ethyl 4-{4-[(adamantan-1-yl)carbamamido]phenyl}-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 496.67 |
| Molecular Formula: | C27 H36 N4 O3 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(NC23CC4CC(CC(C4)C3)C2)=O)NC1=S)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2076 |
| logD: | 5.2074 |
| logSw: | -5.073 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.546 |
| InChI Key: | BOVLYUJMCDLTBV-ZTYFUTMOSA-N |