3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
Compound ID: | C090-0378 |
Compound Name: | 3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(3,4,5-trimethoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
Molecular Weight: | 641.12 |
Molecular Formula: | C35 H33 Cl N4 O6 |
Smiles: | COc1ccc(cc1CN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1cc(c(c(c1)OC)OC)OC)[Cl] |
Stereo: | ACHIRAL |
logP: | 7.0711 |
logD: | 7.0487 |
logSw: | -6.4844 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 80.696 |
InChI Key: | XKAUGWLKSRKWHO-UHFFFAOYSA-N |