methyl 4-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
methyl 4-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate
Compound characteristics
| Compound ID: | C090-0228 |
| Compound Name: | methyl 4-{[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-6-oxo-6H-anthra[1,9-cd][1,2]oxazol-5-yl]amino}benzoate |
| Molecular Weight: | 511.53 |
| Molecular Formula: | C29 H25 N3 O6 |
| Smiles: | COC(c1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCC2(CC1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8568 |
| logD: | 5.8568 |
| logSw: | -5.8871 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.158 |
| InChI Key: | MJHNRXQDKMYLAK-UHFFFAOYSA-N |