propan-2-yl 1-ethyl-6-methyl-4-{3-[(4-methylbenzene-1-sulfonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-6-methyl-4-{3-[(4-methylbenzene-1-sulfonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1-ethyl-6-methyl-4-{3-[(4-methylbenzene-1-sulfonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-4304 |
| Compound Name: | propan-2-yl 1-ethyl-6-methyl-4-{3-[(4-methylbenzene-1-sulfonyl)amino]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 487.64 |
| Molecular Formula: | C24 H29 N3 O4 S2 |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NS(c2ccc(C)cc2)(=O)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8188 |
| logD: | 4.7816 |
| logSw: | -4.4972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.554 |
| InChI Key: | QWAXJJOLKPLPAY-QFIPXVFZSA-N |