ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate
Chemical Structure Depiction of
ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate
ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate
Compound characteristics
| Compound ID: | K906-2506 |
| Compound Name: | ethyl 3-[4-({[2-(4-methylpiperidin-1-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamido]benzoate |
| Molecular Weight: | 475.54 |
| Molecular Formula: | C27 H29 N3 O5 |
| Smiles: | CCOC(c1cccc(c1)NC(c1ccc(CNC2=C(C(C2=O)=O)N2CCC(C)CC2)cc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1982 |
| logD: | 4.1928 |
| logSw: | -4.1242 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.704 |
| InChI Key: | QJKKLKLBLBHIPG-UHFFFAOYSA-N |