N-(3-chloro-4-fluorophenyl)-1-oxo-2-[(pyrazine-2-carbonyl)amino]-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-1-oxo-2-[(pyrazine-2-carbonyl)amino]-1,2-dihydroisoquinoline-4-carboxamide
N-(3-chloro-4-fluorophenyl)-1-oxo-2-[(pyrazine-2-carbonyl)amino]-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C125-0846 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-1-oxo-2-[(pyrazine-2-carbonyl)amino]-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 437.82 |
| Molecular Formula: | C21 H13 Cl F N5 O3 |
| Smiles: | C1=C(C(Nc2ccc(c(c2)[Cl])F)=O)c2ccccc2C(N1NC(c1cnccn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.9581 |
| logD: | 1.1226 |
| logSw: | -3.3272 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.718 |
| InChI Key: | FAFARQPJJHFIOO-UHFFFAOYSA-N |