5-methyl-2-[4-(3-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Chemical Structure Depiction of
5-methyl-2-[4-(3-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
5-methyl-2-[4-(3-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Compound characteristics
| Compound ID: | 4019-0035 |
| Compound Name: | 5-methyl-2-[4-(3-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol |
| Molecular Weight: | 371.39 |
| Molecular Formula: | C22 H17 N3 O3 |
| Smiles: | Cc1ccc(C2CC(c3cccc(c3)[N+]([O-])=O)=Nc3ccccc3N=2)c(c1)O |
| Stereo: | ACHIRAL |
| logP: | 5.0819 |
| logD: | 5.0391 |
| logSw: | -4.7562 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.7 |
| InChI Key: | MPQWHOMMDOQNOA-UHFFFAOYSA-N |