2-chloro-N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}pyridine-3-carboxamide
Chemical Structure Depiction of
2-chloro-N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}pyridine-3-carboxamide
2-chloro-N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}pyridine-3-carboxamide
Compound characteristics
| Compound ID: | V003-2241 |
| Compound Name: | 2-chloro-N-{4-[(2-chloro-4-fluorophenyl)methyl]-2-ethyl-3-oxo-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl}pyridine-3-carboxamide |
| Molecular Weight: | 488.34 |
| Molecular Formula: | C24 H20 Cl2 F N3 O3 |
| Salt: | not_available |
| Smiles: | CCC1C(N(Cc2cc(ccc2O1)NC(c1cccnc1[Cl])=O)Cc1ccc(cc1[Cl])F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9572 |
| logD: | 4.9539 |
| logSw: | -4.9926 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.552 |
| InChI Key: | LJLWQGGFOZKZFO-HXUWFJFHSA-N |