3-{[4-chloro-3-(cyclopentylcarbamoyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid
Chemical Structure Depiction of
3-{[4-chloro-3-(cyclopentylcarbamoyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid
3-{[4-chloro-3-(cyclopentylcarbamoyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid
Compound characteristics
| Compound ID: | IB08-2119 |
| Compound Name: | 3-{[4-chloro-3-(cyclopentylcarbamoyl)phenyl]carbamoyl}pyrazine-2-carboxylic acid |
| Molecular Weight: | 388.81 |
| Molecular Formula: | C18 H17 Cl N4 O4 |
| Smiles: | C1CCC(C1)NC(c1cc(ccc1[Cl])NC(c1c(C(O)=O)nccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.06 |
| logD: | -3.39 |
| logSw: | -3.34 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 152.83 |
| InChI Key: | WDVVBSYKHDCKMX-UHFFFAOYSA-N |