methyl 4-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
methyl 4-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
| Compound ID: | C090-0168 |
| Compound Name: | methyl 4-{[3-(4-methylpiperazin-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate |
| Molecular Weight: | 468.51 |
| Molecular Formula: | C27 H24 N4 O4 |
| Smiles: | CN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc(cc1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.6123 |
| logD: | 5.2816 |
| logSw: | -5.7748 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.197 |
| InChI Key: | VYTUWZXCVWYHCT-UHFFFAOYSA-N |