methyl 3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]thiophene-2-carboxylate
methyl 3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y509-3438 |
| Compound Name: | methyl 3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-enamido]thiophene-2-carboxylate |
| Molecular Weight: | 291.33 |
| Molecular Formula: | C13 H13 N3 O3 S |
| Smiles: | Cn1cc(\C=C/C(Nc2ccsc2C(=O)OC)=O)cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.3884 |
| logD: | 1.3395 |
| logSw: | -2.1522 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.42 |
| InChI Key: | SXFCRGXSAZDAEO-UHFFFAOYSA-N |