N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2211 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-4-iodo-1-methyl-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 430.26 |
| Molecular Formula: | C14 H15 I N4 O2 S |
| Smiles: | Cn1cc(c(C(Nc2c(C(N)=O)c3CCCCc3s2)=O)n1)I |
| Stereo: | ACHIRAL |
| logP: | 1.2678 |
| logD: | -0.4342 |
| logSw: | -2.1686 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.459 |
| InChI Key: | OCUAPFBXUQWUCZ-UHFFFAOYSA-N |