5-(3-chloro-4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Chemical Structure Depiction of
5-(3-chloro-4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
5-(3-chloro-4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione
Compound characteristics
| Compound ID: | C433-0470 |
| Compound Name: | 5-(3-chloro-4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-3a,6a-dihydropyrrolo[3,4-d][1,2,3]triazole-4,6(1H,5H)-dione |
| Molecular Weight: | 384.82 |
| Molecular Formula: | C19 H17 Cl N4 O3 |
| Smiles: | Cc1ccc(CN2C3C(C(N(C3=O)c3ccc(c(c3)[Cl])OC)=O)N=N2)cc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.4571 |
| logD: | 2.4567 |
| logSw: | -3.0343 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.003 |
| InChI Key: | DNQRVDCVZMISRX-UHFFFAOYSA-N |