4-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,3-diphenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}morpholine
Chemical Structure Depiction of
4-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,3-diphenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}morpholine
4-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,3-diphenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}morpholine
Compound characteristics
| Compound ID: | 8008-8611 |
| Compound Name: | 4-{4-[5-(2H-1,3-benzodioxol-5-yl)-1,3-diphenyl-1,5-dihydro-4H-1,2,4-triazol-4-yl]phenyl}morpholine |
| Molecular Weight: | 504.59 |
| Molecular Formula: | C31 H28 N4 O3 |
| Smiles: | C1COCCN1c1ccc(cc1)N1C(c2ccc3c(c2)OCO3)N(c2ccccc2)N=C1c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4425 |
| logD: | 6.4422 |
| logSw: | -6.3191 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 45.061 |
| InChI Key: | XHJPJCMKAATKSW-HKBQPEDESA-N |