N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y501-3991 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-iodo-1-methyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 385.16 |
| Molecular Formula: | C13 H12 I N3 O3 |
| Smiles: | Cn1c(C(Nc2ccc3c(c2)OCCO3)=O)c(cn1)I |
| Stereo: | ACHIRAL |
| logP: | 1.3485 |
| logD: | 1.3349 |
| logSw: | -2.2471 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.668 |
| InChI Key: | AATLHAPDHDKWQA-UHFFFAOYSA-N |