4-chloro-2-[4-(4-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Chemical Structure Depiction of
4-chloro-2-[4-(4-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
4-chloro-2-[4-(4-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol
Compound characteristics
| Compound ID: | 4019-0048 |
| Compound Name: | 4-chloro-2-[4-(4-nitrophenyl)-3H-1,5-benzodiazepin-2-yl]phenol |
| Molecular Weight: | 391.81 |
| Molecular Formula: | C21 H14 Cl N3 O3 |
| Smiles: | C1C(c2ccc(cc2)[N+]([O-])=O)=Nc2ccccc2N=C1c1cc(ccc1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.4883 |
| logD: | 5.3729 |
| logSw: | -5.7628 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.7 |
| InChI Key: | AETZLKQZZKUEGA-UHFFFAOYSA-N |