5-methyl-2-[4-(4-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Chemical Structure Depiction of
5-methyl-2-[4-(4-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
5-methyl-2-[4-(4-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Compound characteristics
Compound ID: | 4019-0036 |
Compound Name: | 5-methyl-2-[4-(4-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol |
Molecular Weight: | 371.39 |
Molecular Formula: | C22 H17 N3 O3 |
Smiles: | Cc1ccc(C2CC(c3ccc(cc3)[N+]([O-])=O)=Nc3ccccc3N=2)c(c1)O |
Stereo: | ACHIRAL |
logP: | 5.0875 |
logD: | 5.0447 |
logSw: | -4.6601 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.7 |
InChI Key: | MIUNKDIHQWOHBH-UHFFFAOYSA-N |