N-[1-(4-methoxyphenyl)ethyl]-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-[1-(4-methoxyphenyl)ethyl]-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-[1-(4-methoxyphenyl)ethyl]-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: | S466-0551 |
| Compound Name: | N-[1-(4-methoxyphenyl)ethyl]-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: | 408.5 |
| Molecular Formula: | C23 H28 N4 O3 |
| Smiles: | CC(c1ccc(cc1)OC)NC(Cn1c(C)cc2c1C(N1CCCCCC1=N2)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2768 |
| logD: | 2.2768 |
| logSw: | -2.8925 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.461 |
| InChI Key: | FTDICODDPAJGBI-INIZCTEOSA-N |