N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Chemical Structure Depiction of
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-1,5-dioxo-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | Y042-4375 |
| Compound Name: | N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-methyl-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: | CC(C)(C)c1nnc(NC(C23CCC(N3c3ccccc3C(N2C)=O)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1712 |
| logD: | 1.8745 |
| logSw: | -3.0848 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.785 |
| InChI Key: | VITCOGBVFRSBEF-LJQANCHMSA-N |