5-[(2,3-dihydro-1,4-benzodioxin-6-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-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2,3-dihydro-1,4-benzodioxin-6-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: | C090-0368 |
| Compound Name: | 5-[(2,3-dihydro-1,4-benzodioxin-6-yl)amino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 634.69 |
| Molecular Formula: | C36 H34 N4 O7 |
| Smiles: | COc1ccc(CN2CCN(CC2)c2cc(c3C(c4ccccc4c4c3c2no4)=O)Nc2ccc3c(c2)OCCO3)c(c1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.9402 |
| logD: | 5.4766 |
| logSw: | -5.8541 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.975 |
| InChI Key: | YVMIOJSBOKGHGO-UHFFFAOYSA-N |