N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-2268 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-({[5-(furan-2-yl)-4-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 540.6 |
| Molecular Formula: | C29 H24 N4 O5 S |
| Salt: | not_available |
| Smiles: | COc1ccc(cc1)n1c(c2ccco2)nnc1SCc1ccc(cc1)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.454 |
| logD: | 4.454 |
| logSw: | -4.35 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.364 |
| InChI Key: | MXHDEDCFNDXORL-UHFFFAOYSA-N |