6-{4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-{4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
6-{4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L329-0856 |
| Compound Name: | 6-{4-[3-(4-ethylphenyl)-1H-pyrazole-5-carbonyl]-1,4-diazepan-1-yl}-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 492.62 |
| Molecular Formula: | C27 H36 N6 O3 |
| Smiles: | CCc1ccc(cc1)c1cc(C(N2CCCN(CC2)C2=CC(N(C(C)C)C(N2C(C)C)=O)=O)=O)[nH]n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4971 |
| logD: | 4.4965 |
| logSw: | -4.245 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.911 |
| InChI Key: | WMOUIXZLFVTNJE-UHFFFAOYSA-N |