4-(3-methylbutyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Chemical Structure Depiction of
4-(3-methylbutyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
4-(3-methylbutyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | Y042-4491 |
| Compound Name: | 4-(3-methylbutyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide |
| Molecular Weight: | 412.51 |
| Molecular Formula: | C21 H24 N4 O3 S |
| Smiles: | CC(C)CCN1C(c2ccccc2N2C(CCC12C(Nc1ncc(C)s1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6639 |
| logD: | 3.6099 |
| logSw: | -3.8087 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.02 |
| InChI Key: | BVWWSXZHPKAGCA-OAQYLSRUSA-N |