N-(4-bromo-3-methylphenyl)-4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Chemical Structure Depiction of
N-(4-bromo-3-methylphenyl)-4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
N-(4-bromo-3-methylphenyl)-4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Compound characteristics
| Compound ID: | S411-0063 |
| Compound Name: | N-(4-bromo-3-methylphenyl)-4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide |
| Molecular Weight: | 428.33 |
| Molecular Formula: | C21 H22 Br N3 O2 |
| Smiles: | CCN1C2CCCN2C(c2ccc(cc12)C(Nc1ccc(c(C)c1)[Br])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0877 |
| logD: | 4.0876 |
| logSw: | -4.1893 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.704 |
| InChI Key: | BTQLWOWOHBBIQB-LJQANCHMSA-N |