propan-2-yl 1,6-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1,6-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1,6-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-4028 |
| Compound Name: | propan-2-yl 1,6-dimethyl-4-[3-(3-methylbutanamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 403.54 |
| Molecular Formula: | C21 H29 N3 O3 S |
| Smiles: | CC(C)CC(Nc1cccc(c1)C1C(=C(C)N(C)C(N1)=S)C(=O)OC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7436 |
| logD: | 3.7433 |
| logSw: | -3.9736 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.095 |
| InChI Key: | SUBORUGXWRHEQU-LJQANCHMSA-N |