5-(4-fluorophenyl)-7-methyl-4-(3-phenylprop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
5-(4-fluorophenyl)-7-methyl-4-(3-phenylprop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
5-(4-fluorophenyl)-7-methyl-4-(3-phenylprop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | C076-0053 |
| Compound Name: | 5-(4-fluorophenyl)-7-methyl-4-(3-phenylprop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C25 H21 F N2 O2 |
| Smiles: | Cc1ccc2c(c1)C(c1ccc(cc1)F)N(CC(N2)=O)C(/C=C\c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8015 |
| logD: | 4.8015 |
| logSw: | -4.5464 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.499 |
| InChI Key: | UOTADNJIJNELJW-VWLOTQADSA-N |