N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)butanamide
Chemical Structure Depiction of
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)butanamide
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)butanamide
Compound characteristics
| Compound ID: | Y044-5395 |
| Compound Name: | N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(5,11-dioxo-6a,11-dihydroisoindolo[2,1-a]quinazolin-6(5H)-yl)butanamide |
| Molecular Weight: | 443.5 |
| Molecular Formula: | C25 H25 N5 O3 |
| Smiles: | Cc1c(CNC(CCCN2C3c4ccccc4C(N3c3ccccc3C2=O)=O)=O)c(C)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6192 |
| logD: | 1.6192 |
| logSw: | -2.3493 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.088 |
| InChI Key: | PSSQNEIPMKKFRY-HSZRJFAPSA-N |