N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V005-0655 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-({[5-(3-methoxyphenyl)-4-(1-methoxypropan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 520.63 |
| Molecular Formula: | C28 H29 F N4 O3 S |
| Salt: | not_available |
| Smiles: | CC(COC)n1c(c2cccc(c2)OC)nnc1SCc1ccc(cc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5088 |
| logD: | 4.5087 |
| logSw: | -4.3134 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.282 |
| InChI Key: | SMSRYFSSYQZROT-IBGZPJMESA-N |