N-[2-(benzylsulfanyl)ethyl]-4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-yl]benzamide
Chemical Structure Depiction of
N-[2-(benzylsulfanyl)ethyl]-4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-yl]benzamide
N-[2-(benzylsulfanyl)ethyl]-4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-yl]benzamide
Compound characteristics
| Compound ID: | V014-6674 |
| Compound Name: | N-[2-(benzylsulfanyl)ethyl]-4-[3-(2,3-dihydro-1,4-benzodioxin-5-yl)-1H-pyrazol-5-yl]benzamide |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Salt: | not_available |
| Smiles: | C(CSCc1ccccc1)NC(c1ccc(cc1)c1cc(c2cccc3c2OCCO3)n[nH]1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6371 |
| logD: | 4.6371 |
| logSw: | -4.7611 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.219 |
| InChI Key: | RJPCPRCHOPWFSH-UHFFFAOYSA-N |