(morpholin-4-yl)[2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Chemical Structure Depiction of
(morpholin-4-yl)[2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(morpholin-4-yl)[2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-9917 |
| Compound Name: | (morpholin-4-yl)[2-({[5-(4-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 465.53 |
| Molecular Formula: | C23 H23 N5 O4 S |
| Salt: | not_available |
| Smiles: | C=CCn1c(c2ccc(cc2)[N+]([O-])=O)nnc1SCc1ccccc1C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6801 |
| logD: | 3.6801 |
| logSw: | -3.9839 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.158 |
| InChI Key: | IDYLYLSBKUOMIY-UHFFFAOYSA-N |