N-[5-methyl-1-(propan-2-yl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
N-[5-methyl-1-(propan-2-yl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
N-[5-methyl-1-(propan-2-yl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y501-2528 |
| Compound Name: | N-[5-methyl-1-(propan-2-yl)-1H-pyrazol-3-yl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 303.42 |
| Molecular Formula: | C16 H21 N3 O S |
| Smiles: | CC(C)n1c(C)cc(NC(c2cc3CCCCc3s2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.9052 |
| logD: | 3.8388 |
| logSw: | -3.7685 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.505 |
| InChI Key: | LRJDQINFJZPLQM-UHFFFAOYSA-N |