N-(6-oxo-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)-beta-alanine
Chemical Structure Depiction of
N-(6-oxo-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)-beta-alanine
N-(6-oxo-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)-beta-alanine
Compound characteristics
| Compound ID: | C090-0554 |
| Compound Name: | N-(6-oxo-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-5-yl)-beta-alanine |
| Molecular Weight: | 609.08 |
| Molecular Formula: | C31 H32 N4 O7 |
| Salt: | HCl |
| Smiles: | COc1ccc(CN2CCN(CC2)c2cc(c3C(c4ccccc4c4c3c2no4)=O)NCCC(O)=O)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.9903 |
| logD: | 3.9903 |
| logSw: | -4.3562 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.971 |
| InChI Key: | GZZDXNMEUANXPL-UHFFFAOYSA-N |