5-[(propan-2-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-[(propan-2-yl)amino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(propan-2-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: | C620-0301 |
| Compound Name: | 5-[(propan-2-yl)amino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 542.64 |
| Molecular Formula: | C31 H34 N4 O5 |
| Smiles: | CC(C)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6977 |
| logD: | 5.2341 |
| logSw: | -5.8183 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.72 |
| InChI Key: | TYLRDRKJNFSNGW-UHFFFAOYSA-N |