ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-[(4-chlorophenyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-[(4-chlorophenyl)carbamamido]benzoate
ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-[(4-chlorophenyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | K784-6468 |
| Compound Name: | ethyl 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-3-[(4-chlorophenyl)carbamamido]benzoate |
| Molecular Weight: | 537.02 |
| Molecular Formula: | C28 H29 Cl N4 O5 |
| Smiles: | CCOC(c1ccc(c(c1)NC(Nc1ccc(cc1)[Cl])=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1131 |
| logD: | 5.4967 |
| logSw: | -6.2458 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.405 |
| InChI Key: | KOIBFTNRKKQZSE-UHFFFAOYSA-N |