4-butyl-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-butyl-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-butyl-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: | Y042-4384 |
| Compound Name: | 4-butyl-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: | 399.47 |
| Molecular Formula: | C19 H21 N5 O3 S |
| Smiles: | CCCCN1C(c2ccccc2N2C(CCC12C(Nc1nnc(C)s1)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0863 |
| logD: | 1.7579 |
| logSw: | -3.0933 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.804 |
| InChI Key: | XDQNPKXESXLXRW-LJQANCHMSA-N |