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)-N-(3,4,5-trimethoxyphenyl)acetamide
Chemical Structure Depiction of
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)-N-(3,4,5-trimethoxyphenyl)acetamide
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)-N-(3,4,5-trimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | S466-0496 |
| Compound Name: | 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)-N-(3,4,5-trimethoxyphenyl)acetamide |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C23 H28 N4 O5 |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(Nc1cc(c(c(c1)OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8674 |
| logD: | 1.8664 |
| logSw: | -2.6648 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.41 |
| InChI Key: | SAKWERAIALNLQW-UHFFFAOYSA-N |