methyl 4-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
methyl 4-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
| Compound ID: | C090-0120 |
| Compound Name: | methyl 4-{[6-oxo-3-(pyrrolidin-1-yl)-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate |
| Molecular Weight: | 439.47 |
| Molecular Formula: | C26 H21 N3 O4 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4394 |
| logD: | 6.4394 |
| logSw: | -5.9272 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.087 |
| InChI Key: | PMXOZMDHSCGBEC-UHFFFAOYSA-N |