methyl 6-tert-butyl-2-[3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-tert-butyl-2-[3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-tert-butyl-2-[3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8187 |
| Compound Name: | methyl 6-tert-butyl-2-[3-(1,5-dimethyl-1H-pyrazol-4-yl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 415.55 |
| Molecular Formula: | C22 H29 N3 O3 S |
| Smiles: | Cc1c(/C=C/C(Nc2c(C(=O)OC)c3CCC(Cc3s2)C(C)(C)C)=O)cnn1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4343 |
| logD: | 2.858 |
| logSw: | -4.3253 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.491 |
| InChI Key: | CISPYPCPBUQYKU-OAHLLOKOSA-N |