3-[(2,5-dimethylphenyl)methyl]-8-(isoquinoline-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Chemical Structure Depiction of
3-[(2,5-dimethylphenyl)methyl]-8-(isoquinoline-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
3-[(2,5-dimethylphenyl)methyl]-8-(isoquinoline-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Compound characteristics
| Compound ID: | S395-0802 |
| Compound Name: | 3-[(2,5-dimethylphenyl)methyl]-8-(isoquinoline-1-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione |
| Molecular Weight: | 442.52 |
| Molecular Formula: | C26 H26 N4 O3 |
| Smiles: | Cc1ccc(C)c(CN2C(C3(CCN(CC3)C(c3c4ccccc4ccn3)=O)NC2=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.5974 |
| logD: | 3.5974 |
| logSw: | -3.5357 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.84 |
| InChI Key: | UMYLFPAHPXVSIS-UHFFFAOYSA-N |