3-bromo-5-[(2-hydroxyethyl)(methyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-bromo-5-[(2-hydroxyethyl)(methyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-bromo-5-[(2-hydroxyethyl)(methyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0775 |
| Compound Name: | 3-bromo-5-[(2-hydroxyethyl)(methyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 373.2 |
| Molecular Formula: | C17 H13 Br N2 O3 |
| Smiles: | CN(CCO)c1cc(c2c3c1C(c1ccccc1c3on2)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.4978 |
| logD: | 3.4978 |
| logSw: | -4.2576 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.74 |
| InChI Key: | JTJHJXCRBSTHKX-UHFFFAOYSA-N |