N-[(4-fluorophenyl)methyl]-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
N-[(4-fluorophenyl)methyl]-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V025-4337 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 503.55 |
| Molecular Formula: | C26 H22 F N5 O3 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccccc2[N+]([O-])=O)nnc1SCc1ccc(cc1)C(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2693 |
| logD: | 4.2693 |
| logSw: | -4.5312 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.713 |
| InChI Key: | HTQCYMGSSFEUMG-UHFFFAOYSA-N |