3-(azepan-1-yl)-5-{[2-(pyrrolidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-(azepan-1-yl)-5-{[2-(pyrrolidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-(azepan-1-yl)-5-{[2-(pyrrolidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0115 |
| Compound Name: | 3-(azepan-1-yl)-5-{[2-(pyrrolidin-1-yl)ethyl]amino}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 430.55 |
| Molecular Formula: | C26 H30 N4 O2 |
| Smiles: | C1CCCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)NCCN1CCCC1 |
| Stereo: | ACHIRAL |
| logP: | 5.5761 |
| logD: | 3.5302 |
| logSw: | -5.9559 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.39 |
| InChI Key: | IVEFKQSZTYKRAR-UHFFFAOYSA-N |