N-[(furan-2-yl)methyl]-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(furan-2-yl)methyl]-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V005-0668 |
| Compound Name: | N-[(furan-2-yl)methyl]-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 398.48 |
| Molecular Formula: | C20 H22 N4 O3 S |
| Smiles: | COCc1nnc(n1CC=C)SCc1ccccc1C(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1915 |
| logD: | 3.1913 |
| logSw: | -3.5391 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.053 |
| InChI Key: | MAJALCDMPPWKDF-UHFFFAOYSA-N |