2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Chemical Structure Depiction of
2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | Y500-5593 |
| Compound Name: | 2-({5-[(4-iodoanilino)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-1-(4-methoxyphenyl)ethan-1-one |
| Molecular Weight: | 520.39 |
| Molecular Formula: | C21 H21 I N4 O2 S |
| Smiles: | COc1ccc(cc1)C(CSc1nnc(CNc2ccc(cc2)I)n1CC=C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7802 |
| logD: | 4.7802 |
| logSw: | -4.5205 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.492 |
| InChI Key: | HCZQDHANGUNBPS-UHFFFAOYSA-N |