7-butanamido-2-(3-chloro-4-fluorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Chemical Structure Depiction of
7-butanamido-2-(3-chloro-4-fluorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
7-butanamido-2-(3-chloro-4-fluorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
Compound characteristics
| Compound ID: | M563-0634 |
| Compound Name: | 7-butanamido-2-(3-chloro-4-fluorobenzoyl)-N,N-dimethyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide |
| Molecular Weight: | 445.92 |
| Molecular Formula: | C23 H25 Cl F N3 O3 |
| Smiles: | CCCC(Nc1ccc2CC(C(N(C)C)=O)N(Cc2c1)C(c1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0318 |
| logD: | 3.0318 |
| logSw: | -3.673 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.393 |
| InChI Key: | WTBFUQHEUXYSIG-FQEVSTJZSA-N |