propan-2-yl 4-[4-(3-fluorobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-[4-(3-fluorobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 4-[4-(3-fluorobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V011-6838 |
| Compound Name: | propan-2-yl 4-[4-(3-fluorobenzamido)phenyl]-1,6-dimethyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 441.52 |
| Molecular Formula: | C23 H24 F N3 O3 S |
| Smiles: | CC(C)OC(C1C(c2ccc(cc2)NC(c2cccc(c2)F)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8476 |
| logD: | 3.8473 |
| logSw: | -4.0628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.036 |
| InChI Key: | KMIFKLLHVGATLY-FQEVSTJZSA-N |