3-(butan-2-yl)-7-chloro-5-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Chemical Structure Depiction of
3-(butan-2-yl)-7-chloro-5-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one
3-(butan-2-yl)-7-chloro-5-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one
Compound characteristics
| Compound ID: | K788-4331 |
| Compound Name: | 3-(butan-2-yl)-7-chloro-5-(2-chlorophenyl)-1-[(3-nitrophenyl)methyl]-1,3-dihydro-2H-1,4-benzodiazepin-2-one |
| Molecular Weight: | 496.39 |
| Molecular Formula: | C26 H23 Cl2 N3 O3 |
| Smiles: | CCC(C)C1C(N(Cc2cccc(c2)[N+]([O-])=O)c2ccc(cc2C(c2ccccc2[Cl])=N1)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2737 |
| logD: | 6.2737 |
| logSw: | -5.9854 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 57.603 |
| InChI Key: | LGJKFHUIBBHPBX-UHFFFAOYSA-N |