propan-2-yl 1,6-dimethyl-4-{4-[2-(phenylsulfanyl)acetamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1,6-dimethyl-4-{4-[2-(phenylsulfanyl)acetamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1,6-dimethyl-4-{4-[2-(phenylsulfanyl)acetamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V018-3038 |
| Compound Name: | propan-2-yl 1,6-dimethyl-4-{4-[2-(phenylsulfanyl)acetamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 469.62 |
| Molecular Formula: | C24 H27 N3 O3 S2 |
| Smiles: | CC(C)OC(C1C(c2ccc(cc2)NC(CSc2ccccc2)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0261 |
| logD: | 4.026 |
| logSw: | -4.0265 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.823 |
| InChI Key: | UDEQJLMRHTYKEQ-JOCHJYFZSA-N |