4-(4-butoxybenzoyl)-7-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
4-(4-butoxybenzoyl)-7-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
4-(4-butoxybenzoyl)-7-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0461 |
| Compound Name: | 4-(4-butoxybenzoyl)-7-fluoro-5-(4-fluorophenyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 450.48 |
| Molecular Formula: | C26 H24 F2 N2 O3 |
| Smiles: | CCCCOc1ccc(cc1)C(N1CC(Nc2ccc(cc2C1c1ccc(cc1)F)F)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4433 |
| logD: | 5.4433 |
| logSw: | -5.3305 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.444 |
| InChI Key: | RRLJAMNGBPDXBB-VWLOTQADSA-N |