3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C620-0228 |
| Compound Name: | 3-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[(2-methylpropyl)amino]-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C24 H28 N4 O3 |
| Smiles: | CC(C)CNc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)CCO |
| Stereo: | ACHIRAL |
| logP: | 4.1228 |
| logD: | 4.0473 |
| logSw: | -4.5021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.587 |
| InChI Key: | NYMLFHYFIHMTCA-UHFFFAOYSA-N |