4-methoxy-2-[4-(3-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Chemical Structure Depiction of
4-methoxy-2-[4-(3-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
4-methoxy-2-[4-(3-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Compound characteristics
| Compound ID: | 4019-0059 |
| Compound Name: | 4-methoxy-2-[4-(3-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | COc1ccc(c(c1)C1CC(c2cccc(c2)[N+]([O-])=O)=Nc2ccccc2N=1)O |
| Stereo: | ACHIRAL |
| logP: | 4.9172 |
| logD: | 4.8992 |
| logSw: | -4.4322 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.243 |
| InChI Key: | NVRGSWYAUUWQIJ-UHFFFAOYSA-N |