3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(4-methoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(4-methoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(4-methoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0382 |
| Compound Name: | 3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-5-(4-methoxyanilino)-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 581.07 |
| Molecular Formula: | C33 H29 Cl N4 O4 |
| Smiles: | COc1ccc(cc1)Nc1cc(c2c3c1C(c1ccccc1c3on2)=O)N1CCN(CC1)Cc1cc(ccc1OC)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.6729 |
| logD: | 7.6505 |
| logSw: | -6.584 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.262 |
| InChI Key: | PSYMILOMJUQLKQ-UHFFFAOYSA-N |