N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y043-3430 |
| Compound Name: | N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 365.39 |
| Molecular Formula: | C20 H19 N3 O4 |
| Smiles: | COc1ccccc1c1cc(C(Nc2ccc3c(c2)OCCCO3)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 2.8135 |
| logD: | 2.8133 |
| logSw: | -3.5976 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.604 |
| InChI Key: | PPWYEQZTDBEZRY-UHFFFAOYSA-N |