methyl 4-[2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamido]benzoate
Chemical Structure Depiction of
methyl 4-[2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamido]benzoate
methyl 4-[2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamido]benzoate
Compound characteristics
| Compound ID: | S466-0480 |
| Compound Name: | methyl 4-[2-(2-methyl-11-oxo-5,6,7,8,9,11-hexahydro-1H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-1-yl)acetamido]benzoate |
| Molecular Weight: | 408.46 |
| Molecular Formula: | C22 H24 N4 O4 |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(Nc1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5776 |
| logD: | 2.5773 |
| logSw: | -3.0056 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.605 |
| InChI Key: | VKARADRZOPSYBY-UHFFFAOYSA-N |