{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(1-methyl-1H-indazol-3-yl)methanone
Chemical Structure Depiction of
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(1-methyl-1H-indazol-3-yl)methanone
{4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(1-methyl-1H-indazol-3-yl)methanone
Compound characteristics
| Compound ID: | P803-1565 |
| Compound Name: | {4-[3-(3,4-dimethylphenyl)-1H-pyrazol-5-yl]-1,4-diazepan-1-yl}(1-methyl-1H-indazol-3-yl)methanone |
| Molecular Weight: | 428.54 |
| Molecular Formula: | C25 H28 N6 O |
| Smiles: | Cc1ccc(cc1C)c1cc([nH]n1)N1CCCN(CC1)C(c1c2ccccc2n(C)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2462 |
| logD: | 4.2462 |
| logSw: | -4.1662 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.967 |
| InChI Key: | MDKMYVAVDDTWHC-UHFFFAOYSA-N |