2-methylpropyl 4-[3-(4-butoxybenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 4-[3-(4-butoxybenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 4-[3-(4-butoxybenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-8211 |
| Compound Name: | 2-methylpropyl 4-[3-(4-butoxybenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 509.67 |
| Molecular Formula: | C28 H35 N3 O4 S |
| Smiles: | CCCCOc1ccc(cc1)C(Nc1cccc(c1)C1C(=C(C)N(C)C(N1)=S)C(=O)OCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6859 |
| logD: | 5.6856 |
| logSw: | -5.3612 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.151 |
| InChI Key: | UASREWSKSWAYTA-RUZDIDTESA-N |