N-(5-butyl-1,3,4-thiadiazol-2-yl)-1,5-dioxo-4-(propan-2-yl)-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Chemical Structure Depiction of
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1,5-dioxo-4-(propan-2-yl)-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
N-(5-butyl-1,3,4-thiadiazol-2-yl)-1,5-dioxo-4-(propan-2-yl)-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide
Compound characteristics
| Compound ID: | Y042-4380 |
| Compound Name: | N-(5-butyl-1,3,4-thiadiazol-2-yl)-1,5-dioxo-4-(propan-2-yl)-2,3,4,5-tetrahydropyrrolo[1,2-a]quinazoline-3a(1H)-carboxamide |
| Molecular Weight: | 427.52 |
| Molecular Formula: | C21 H25 N5 O3 S |
| Smiles: | CCCCc1nnc(NC(C23CCC(N3c3ccccc3C(N2C(C)C)=O)=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2667 |
| logD: | 2.9491 |
| logSw: | -3.7998 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.235 |
| InChI Key: | ZNJDKDNPNVJSKK-OAQYLSRUSA-N |