5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Chemical Structure Depiction of
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one
Compound characteristics
| Compound ID: | C090-0379 |
| Compound Name: | 5-[(2H-1,3-benzodioxol-5-yl)amino]-3-{4-[(5-chloro-2-methoxyphenyl)methyl]piperazin-1-yl}-6H-anthra[1,9-cd][1,2]oxazol-6-one |
| Molecular Weight: | 595.05 |
| Molecular Formula: | C33 H27 Cl N4 O5 |
| Smiles: | COc1ccc(cc1CN1CCN(CC1)c1cc(c2C(c3ccccc3c3c2c1no3)=O)Nc1ccc2c(c1)OCO2)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 7.5237 |
| logD: | 7.5012 |
| logSw: | -6.5225 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.833 |
| InChI Key: | RWHKYKSOJNUIRO-UHFFFAOYSA-N |