methyl 4-[(4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carbonyl)amino]benzoate
methyl 4-[(4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | S411-0289 |
| Compound Name: | methyl 4-[(4-ethyl-9-oxo-1,2,3,3a,4,9-hexahydropyrrolo[2,1-b]quinazoline-6-carbonyl)amino]benzoate |
| Molecular Weight: | 393.44 |
| Molecular Formula: | C22 H23 N3 O4 |
| Smiles: | CCN1C2CCCN2C(c2ccc(cc12)C(Nc1ccc(cc1)C(=O)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0039 |
| logD: | 3.0037 |
| logSw: | -3.56 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.878 |
| InChI Key: | FPXHJQMLVAISJY-LJQANCHMSA-N |