(morpholin-4-yl)[2-({[5-(propan-2-yl)-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-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
(morpholin-4-yl)[2-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone
Compound characteristics
| Compound ID: | V029-5089 |
| Compound Name: | (morpholin-4-yl)[2-({[5-(propan-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)phenyl]methanone |
| Molecular Weight: | 386.51 |
| Molecular Formula: | C20 H26 N4 O2 S |
| Smiles: | CC(C)c1nnc(n1CC=C)SCc1ccccc1C(N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9147 |
| logD: | 2.9147 |
| logSw: | -3.3172 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 49.048 |
| InChI Key: | ZFKIUTGOBYGWSP-UHFFFAOYSA-N |