propan-2-yl 1-ethyl-4-{3-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-4-{3-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1-ethyl-4-{3-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-4385 |
| Compound Name: | propan-2-yl 1-ethyl-4-{3-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 491.6 |
| Molecular Formula: | C23 H26 F N3 O4 S2 |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NS(c2ccc(cc2)F)(=O)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4244 |
| logD: | 4.3328 |
| logSw: | -4.2541 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.554 |
| InChI Key: | XTFYQDJKFQKQAL-NRFANRHFSA-N |