4-(3,4-diethoxybenzoyl)-7-fluoro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
4-(3,4-diethoxybenzoyl)-7-fluoro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
4-(3,4-diethoxybenzoyl)-7-fluoro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0730 |
| Compound Name: | 4-(3,4-diethoxybenzoyl)-7-fluoro-5-phenyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 448.49 |
| Molecular Formula: | C26 H25 F N2 O4 |
| Smiles: | CCOc1ccc(cc1OCC)C(N1CC(Nc2ccc(cc2C1c1ccccc1)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0176 |
| logD: | 4.0176 |
| logSw: | -4.0672 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.446 |
| InChI Key: | KRUJRZLJGFOOEG-VWLOTQADSA-N |