propan-2-yl 1,6-dimethyl-4-{4-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1,6-dimethyl-4-{4-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1,6-dimethyl-4-{4-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V011-8153 |
| Compound Name: | propan-2-yl 1,6-dimethyl-4-{4-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 494.57 |
| Molecular Formula: | C25 H26 N4 O5 S |
| Smiles: | CC(C)OC(C1C(c2ccc(cc2)NC(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)NC(N(C)C=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3278 |
| logD: | 4.3273 |
| logSw: | -4.2804 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.205 |
| InChI Key: | NYXIZTQCJVLMOW-HSZRJFAPSA-N |