2-[4-(4-tert-butylphenyl)-3H-1,5-benzodiazepin-2-yl]-4-chlorophenol
Chemical Structure Depiction of
2-[4-(4-tert-butylphenyl)-3H-1,5-benzodiazepin-2-yl]-4-chlorophenol
2-[4-(4-tert-butylphenyl)-3H-1,5-benzodiazepin-2-yl]-4-chlorophenol
Compound characteristics
| Compound ID: | 4019-0046 |
| Compound Name: | 2-[4-(4-tert-butylphenyl)-3H-1,5-benzodiazepin-2-yl]-4-chlorophenol |
| Molecular Weight: | 402.92 |
| Molecular Formula: | C25 H23 Cl N2 O |
| Smiles: | CC(C)(C)c1ccc(cc1)C1CC(c2cc(ccc2O)[Cl])=Nc2ccccc2N=1 |
| Stereo: | ACHIRAL |
| logP: | 7.3571 |
| logD: | 7.234 |
| logSw: | -6.3113 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 34.318 |
| InChI Key: | YOKSSMWXILABMI-UHFFFAOYSA-N |