methyl 2-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}-4-methylbenzoate
Chemical Structure Depiction of
methyl 2-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}-4-methylbenzoate
methyl 2-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}-4-methylbenzoate
Compound characteristics
| Compound ID: | F107-2012 |
| Compound Name: | methyl 2-{[1,3-bis(2H-1,3-benzodioxol-5-yl)propan-2-yl]carbamamido}-4-methylbenzoate |
| Molecular Weight: | 490.51 |
| Molecular Formula: | C27 H26 N2 O7 |
| Smiles: | Cc1ccc(C(=O)OC)c(c1)NC(NC(Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9223 |
| logD: | 4.9197 |
| logSw: | -4.6779 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.208 |
| InChI Key: | JUZWOXJGXNKLSO-UHFFFAOYSA-N |