ethyl 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
ethyl 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
ethyl 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: | S466-0398 |
| Compound Name: | ethyl 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: | 422.48 |
| Molecular Formula: | C23 H26 N4 O4 |
| Smiles: | CCOC(c1ccc(cc1)NC(Cn1c(C)cc2c1C(N1CCCCCC1=N2)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0882 |
| logD: | 3.088 |
| logSw: | -3.3116 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.185 |
| InChI Key: | CGPMOTKRZACMDR-UHFFFAOYSA-N |