N-(2H-1,3-benzodioxol-5-yl)-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)acetamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-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)acetamide
N-(2H-1,3-benzodioxol-5-yl)-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)acetamide
Compound characteristics
| Compound ID: | S466-0473 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-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)acetamide |
| Molecular Weight: | 394.43 |
| Molecular Formula: | C21 H22 N4 O4 |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3199 |
| logD: | 2.3198 |
| logSw: | -2.9717 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.547 |
| InChI Key: | OMUYDFJFPUXTJQ-UHFFFAOYSA-N |