N-[(3-methoxyphenyl)methyl]-1-{N-[(pentafluorophenyl)carbamoyl]-beta-alanyl}piperidine-4-carboxamide
Chemical Structure Depiction of
N-[(3-methoxyphenyl)methyl]-1-{N-[(pentafluorophenyl)carbamoyl]-beta-alanyl}piperidine-4-carboxamide
N-[(3-methoxyphenyl)methyl]-1-{N-[(pentafluorophenyl)carbamoyl]-beta-alanyl}piperidine-4-carboxamide
Compound characteristics
| Compound ID: | V002-8908 |
| Compound Name: | N-[(3-methoxyphenyl)methyl]-1-{N-[(pentafluorophenyl)carbamoyl]-beta-alanyl}piperidine-4-carboxamide |
| Molecular Weight: | 528.48 |
| Molecular Formula: | C24 H25 F5 N4 O4 |
| Smiles: | COc1cccc(CNC(C2CCN(CC2)C(CCNC(Nc2c(c(c(c(c2F)F)F)F)F)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.1976 |
| logD: | -0.8039 |
| logSw: | -2.8399 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 80.659 |
| InChI Key: | HAGNVSCAHGXXQA-UHFFFAOYSA-N |