methyl 4-chloro-3-[2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-chloro-3-[2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamido]benzoate
methyl 4-chloro-3-[2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | 7027-1575 |
| Compound Name: | methyl 4-chloro-3-[2-(2-oxobenzo[cd]indol-1(2H)-yl)acetamido]benzoate |
| Molecular Weight: | 394.81 |
| Molecular Formula: | C21 H15 Cl N2 O4 |
| Smiles: | COC(c1ccc(c(c1)NC(CN1C(c2cccc3cccc1c23)=O)=O)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9777 |
| logD: | 3.9772 |
| logSw: | -4.3663 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.061 |
| InChI Key: | OHUPGOAWEWTSAF-UHFFFAOYSA-N |