4-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-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-1,3,4-thiadiazol-2-yl)-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
4-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | Y042-4492 |
| Compound Name: | 4-(3-methylbutyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide |
| Molecular Weight: | 413.5 |
| Molecular Formula: | C20 H23 N5 O3 S |
| Smiles: | CC(C)CCN1C(c2ccccc2N2C(CCC12C(Nc1nnc(C)s1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4014 |
| logD: | 2.0729 |
| logSw: | -3.0302 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.804 |
| InChI Key: | UHRATFNBLWJRPO-HXUWFJFHSA-N |