2-(2H-1,3-benzodioxol-5-yl)-1-(3,4-dichlorobenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
Chemical Structure Depiction of
2-(2H-1,3-benzodioxol-5-yl)-1-(3,4-dichlorobenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
2-(2H-1,3-benzodioxol-5-yl)-1-(3,4-dichlorobenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one
Compound characteristics
| Compound ID: | Y508-2961 |
| Compound Name: | 2-(2H-1,3-benzodioxol-5-yl)-1-(3,4-dichlorobenzoyl)-1,2-dihydro-4H-3,1-benzoxazin-4-one |
| Molecular Weight: | 442.25 |
| Molecular Formula: | C22 H13 Cl2 N O5 |
| Smiles: | C1Oc2ccc(cc2O1)C1N(C(c2ccc(c(c2)[Cl])[Cl])=O)c2ccccc2C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0979 |
| logD: | 5.0979 |
| logSw: | -5.4739 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.591 |
| InChI Key: | BRUMUGYSRIAMRC-NRFANRHFSA-N |