methyl 4-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
methyl 4-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
| Compound ID: | C090-0048 |
| Compound Name: | methyl 4-{[3-(azepan-1-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate |
| Molecular Weight: | 467.52 |
| Molecular Formula: | C28 H25 N3 O4 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 7.2902 |
| logD: | 7.2902 |
| logSw: | -5.9078 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.052 |
| InChI Key: | LYCVXKNFNPDORW-UHFFFAOYSA-N |