6-(4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-1,4-diazepan-1-yl)-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
6-(4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-1,4-diazepan-1-yl)-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
6-(4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-1,4-diazepan-1-yl)-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | L329-0865 |
| Compound Name: | 6-(4-{5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]furan-2-carbonyl}-1,4-diazepan-1-yl)-1,3-di(propan-2-yl)pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C26 H36 N6 O4 |
| Smiles: | CC(C)N1C(=CC(N(C(C)C)C1=O)=O)N1CCCN(CC1)C(c1ccc(Cn2c(C)cc(C)n2)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3076 |
| logD: | 2.3076 |
| logSw: | -2.6308 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.998 |
| InChI Key: | QYNXPSDDAIABHD-UHFFFAOYSA-N |