N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide
Compound characteristics
| Compound ID: | K906-2501 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)benzamide |
| Molecular Weight: | 479.53 |
| Molecular Formula: | C26 H29 N3 O6 |
| Smiles: | COc1ccc(CCNC(c2ccc(CNC3=C(C(C3=O)=O)N3CCOCC3)cc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.0437 |
| logD: | 1.0383 |
| logSw: | -2.195 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.283 |
| InChI Key: | CRSDIECLMOHJKP-UHFFFAOYSA-N |