methyl 3-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 3-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}benzoate
methyl 3-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}benzoate
Compound characteristics
| Compound ID: | F107-1997 |
| Compound Name: | methyl 3-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}benzoate |
| Molecular Weight: | 476.49 |
| Molecular Formula: | C26 H24 N2 O7 |
| Smiles: | COC(c1cccc(c1)NC(NC(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3894 |
| logD: | 5.3893 |
| logSw: | -5.5924 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.905 |
| InChI Key: | VNVOWDUWOVZJJQ-UHFFFAOYSA-N |