7-chloro-5-(4-fluorophenyl)-4-(3,4,5-triethoxybenzoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
7-chloro-5-(4-fluorophenyl)-4-(3,4,5-triethoxybenzoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
7-chloro-5-(4-fluorophenyl)-4-(3,4,5-triethoxybenzoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0379 |
| Compound Name: | 7-chloro-5-(4-fluorophenyl)-4-(3,4,5-triethoxybenzoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 526.99 |
| Molecular Formula: | C28 H28 Cl F N2 O5 |
| Smiles: | CCOc1cc(cc(c1OCC)OCC)C(N1CC(Nc2ccc(cc2C1c1ccc(cc1)F)[Cl])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2384 |
| logD: | 5.2383 |
| logSw: | -5.8735 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.743 |
| InChI Key: | TWHXLVYQQQXUQG-SANMLTNESA-N |