3-{[(furan-2-yl)methyl]amino}-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)cyclobut-3-ene-1,2-dione
Chemical Structure Depiction of
3-{[(furan-2-yl)methyl]amino}-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)cyclobut-3-ene-1,2-dione
3-{[(furan-2-yl)methyl]amino}-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)cyclobut-3-ene-1,2-dione
Compound characteristics
| Compound ID: | IB07-6178 |
| Compound Name: | 3-{[(furan-2-yl)methyl]amino}-4-({2-[(2-hydroxyethyl)amino]ethyl}amino)cyclobut-3-ene-1,2-dione |
| Molecular Weight: | 279.29 |
| Molecular Formula: | C13 H17 N3 O4 |
| Smiles: | C(CNC1=C(C(C1=O)=O)NCc1ccco1)NCCO |
| Stereo: | ACHIRAL |
| logP: | -1.21 |
| logD: | -3.11 |
| logSw: | -0.92 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 140.21 |
| InChI Key: | JYCRWQFZOMMUSE-UHFFFAOYSA-N |