3-chloro-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-chloro-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-chloro-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0213 |
| Compound Name: | 3-chloro-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 326.78 |
| Molecular Formula: | C18 H15 Cl N2 O2 |
| Smiles: | CC(C)CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.075 |
| logD: | 5.075 |
| logSw: | -5.42 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.989 |
| InChI Key: | UNXSFEAAFGHOHL-UHFFFAOYSA-N |