5-(3,4,5-trimethoxyanilino)-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-(3,4,5-trimethoxyanilino)-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-(3,4,5-trimethoxyanilino)-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0366 |
| Compound Name: | 5-(3,4,5-trimethoxyanilino)-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 666.73 |
| Molecular Formula: | C37 H38 N4 O8 |
| Smiles: | COc1ccc(CN2CCN(CC2)c2cc(c3C(c4ccccc4c4c3c2no4)=O)Nc2cc(c(c(c2)OC)OC)OC)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 6.3482 |
| logD: | 5.8846 |
| logSw: | -5.9107 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.13 |
| InChI Key: | GTUFQJPVZMHOEJ-UHFFFAOYSA-N |