propan-2-yl 4-(4-heptanamidophenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-(4-heptanamidophenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 4-(4-heptanamidophenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V015-0404 |
| Compound Name: | propan-2-yl 4-(4-heptanamidophenyl)-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 431.6 |
| Molecular Formula: | C23 H33 N3 O3 S |
| Smiles: | CCCCCCC(Nc1ccc(cc1)C1C(=C(C)N(C)C(N1)=S)C(=O)OC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4638 |
| logD: | 4.4638 |
| logSw: | -4.2579 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.095 |
| InChI Key: | BSHZDTYCFBVSFY-OAQYLSRUSA-N |