methyl 3-{[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
methyl 3-{[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate
Compound characteristics
| Compound ID: | 3043-0002 |
| Compound Name: | methyl 3-{[(5-bromo-1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]amino}benzoate |
| Molecular Weight: | 389.2 |
| Molecular Formula: | C17 H13 Br N2 O4 |
| Smiles: | COC(c1cccc(c1)NCN1C(c2ccc(cc2C1=O)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8581 |
| logD: | 3.8581 |
| logSw: | -4.0555 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.825 |
| InChI Key: | SFAUGIGWTGXOSY-UHFFFAOYSA-N |