N-cyclopentyl-2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
N-cyclopentyl-2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide
Compound characteristics
| Compound ID: | F471-0777 |
| Compound Name: | N-cyclopentyl-2-[(2,5-dimethylphenyl)methyl]-4-methyl-1,5-dioxo-1,2,4,5-tetrahydro[1,2,4]triazolo[4,3-a]quinazoline-8-carboxamide |
| Molecular Weight: | 445.52 |
| Molecular Formula: | C25 H27 N5 O3 |
| Smiles: | Cc1ccc(C)c(CN2C(N3C(=N2)N(C)C(c2ccc(cc23)C(NC2CCCC2)=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.7814 |
| logD: | 3.7814 |
| logSw: | -3.8998 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.477 |
| InChI Key: | AKGRLYAOBHFUGD-UHFFFAOYSA-N |