N-[(4-fluorophenyl)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-[(4-fluorophenyl)methyl]-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V014-0356 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-({[5-(methoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 426.51 |
| Molecular Formula: | C22 H23 F N4 O2 S |
| Salt: | not_available |
| Smiles: | COCc1nnc(n1CC=C)SCc1ccccc1C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4699 |
| logD: | 3.4695 |
| logSw: | -3.7297 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.304 |
| InChI Key: | AOXQWDUQRXAKRP-UHFFFAOYSA-N |