1-{5-(2H-1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-[4-(morpholin-4-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Chemical Structure Depiction of
1-{5-(2H-1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-[4-(morpholin-4-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
1-{5-(2H-1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-[4-(morpholin-4-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one
Compound characteristics
| Compound ID: | 8008-7434 |
| Compound Name: | 1-{5-(2H-1,3-benzodioxol-5-yl)-1-(4-chlorophenyl)-4-[4-(morpholin-4-yl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}ethan-1-one |
| Molecular Weight: | 504.97 |
| Molecular Formula: | C27 H25 Cl N4 O4 |
| Smiles: | CC(C1=NN(C(c2ccc3c(c2)OCO3)N1c1ccc(cc1)N1CCOCC1)c1ccc(cc1)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3242 |
| logD: | 5.3241 |
| logSw: | -6.1239 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.16 |
| InChI Key: | ZHGBQVGROHFQAL-MHZLTWQESA-N |