1-(2H-1,3-benzodioxol-5-yl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
Chemical Structure Depiction of
1-(2H-1,3-benzodioxol-5-yl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
1-(2H-1,3-benzodioxol-5-yl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one
Compound characteristics
| Compound ID: | V028-5766 |
| Compound Name: | 1-(2H-1,3-benzodioxol-5-yl)-3-methyl-4-(4-nitrobenzoyl)piperazin-2-one |
| Molecular Weight: | 383.36 |
| Molecular Formula: | C19 H17 N3 O6 |
| Salt: | not_available |
| Smiles: | CC1C(N(CCN1C(c1ccc(cc1)[N+]([O-])=O)=O)c1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5435 |
| logD: | 2.5435 |
| logSw: | -2.9068 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.473 |
| InChI Key: | XOECCHVWXYXHFF-LBPRGKRZSA-N |