methyl 4-[(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
methyl 4-[(3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl)amino]benzoate
methyl 4-[(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: | C090-0384 |
| Compound Name: | methyl 4-[(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: | 609.08 |
| Molecular Formula: | C34 H29 Cl N4 O5 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)Cc1cc(ccc1OC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 7.7813 |
| logD: | 7.7588 |
| logSw: | -6.5792 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.892 |
| InChI Key: | ZUIKAKFYZLZAKK-UHFFFAOYSA-N |