ethyl 3-[(3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
ethyl 3-[(3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
Compound characteristics
| Compound ID: | C090-0374 |
| Compound Name: | ethyl 3-[(3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate |
| Molecular Weight: | 623.11 |
| Molecular Formula: | C35 H31 Cl N4 O5 |
| Smiles: | CCOC(c1cccc(c1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)Cc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 8.4726 |
| logD: | 8.4501 |
| logSw: | -6.6451 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.471 |
| InChI Key: | MXDSBSHFXQOYDE-UHFFFAOYSA-N |