5-[(2H-1,3-benzodioxol-5-yl)amino]-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-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0367 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 620.66 |
| Molecular Formula: | C35 H32 N4 O7 |
| Smiles: | COc1ccc(CN2CCN(CC2)c2cc(c3C(c4ccccc4c4c3c2no4)=O)Nc2ccc3c(c2)OCO3)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 6.8008 |
| logD: | 6.3372 |
| logSw: | -6.026 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.267 |
| InChI Key: | IWCXXQZNVPHEOB-UHFFFAOYSA-N |