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 |