methyl 2-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}benzoate
Chemical Structure Depiction of
methyl 2-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}benzoate
methyl 2-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}benzoate
Compound characteristics
Compound ID: | F107-1948 |
Compound Name: | methyl 2-{[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(c1ccccc1NC(NC(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2)=O)=O |
Stereo: | ACHIRAL |
logP: | 4.8435 |
logD: | 4.8395 |
logSw: | -4.6636 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 88.208 |
InChI Key: | NSJJRZWOZMUFQN-UHFFFAOYSA-N |