3-bromo-5-[(3-ethoxypropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-bromo-5-[(3-ethoxypropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-bromo-5-[(3-ethoxypropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0741 |
| Compound Name: | 3-bromo-5-[(3-ethoxypropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 401.26 |
| Molecular Formula: | C19 H17 Br N2 O3 |
| Smiles: | CCOCCCNc1cc(c2c3c1C(c1ccccc1c3on2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.605 |
| logD: | 4.605 |
| logSw: | -4.6713 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.808 |
| InChI Key: | RFEXTDDUTCQKRL-UHFFFAOYSA-N |