(morpholin-4-yl)[4-({[5-(2-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)[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(morpholin-4-yl)[4-({[5-(2-nitrophenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V001-0266 |
| Compound Name: | (morpholin-4-yl)[4-({[5-(2-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(c2ccccc2[N+]([O-])=O)nnc1SCc1ccc(cc1)C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4967 |
| logD: | 2.4967 |
| logSw: | -2.8498 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 81.857 |
| InChI Key: | HHJCNPYAVHOGRT-UHFFFAOYSA-N |