5-[4-(dimethylamino)anilino]-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-[4-(dimethylamino)anilino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[4-(dimethylamino)anilino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0371 |
| Compound Name: | 5-[4-(dimethylamino)anilino]-3-{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 619.72 |
| Molecular Formula: | C36 H37 N5 O5 |
| Smiles: | CN(C)c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC |
| Stereo: | ACHIRAL |
| logP: | 7.0577 |
| logD: | 6.5941 |
| logSw: | -6.0417 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.957 |
| InChI Key: | VCHPBIKUKCVCGP-UHFFFAOYSA-N |