N-[(3,4-dimethylphenyl)methyl]-4-methyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Chemical Structure Depiction of
N-[(3,4-dimethylphenyl)methyl]-4-methyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
N-[(3,4-dimethylphenyl)methyl]-4-methyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide
Compound characteristics
| Compound ID: | S411-0681 |
| Compound Name: | N-[(3,4-dimethylphenyl)methyl]-4-methyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carboxamide |
| Molecular Weight: | 363.46 |
| Molecular Formula: | C22 H25 N3 O2 |
| Smiles: | Cc1ccc(CNC(c2ccc3C(N4CCCC4N(C)c3c2)=O)=O)cc1C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9773 |
| logD: | 2.9773 |
| logSw: | -3.3019 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.068 |
| InChI Key: | KJHRTVZPMYPTGM-HXUWFJFHSA-N |