1-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-methyl-1,5,6,7,8,9-hexahydro-11H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-11-one
Chemical Structure Depiction of
1-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-methyl-1,5,6,7,8,9-hexahydro-11H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-11-one
1-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-methyl-1,5,6,7,8,9-hexahydro-11H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-11-one
Compound characteristics
| Compound ID: | S466-0385 |
| Compound Name: | 1-[2-(3,4-dihydroquinolin-1(2H)-yl)-2-oxoethyl]-2-methyl-1,5,6,7,8,9-hexahydro-11H-pyrrolo[3',2':4,5]pyrimido[1,2-a]azepin-11-one |
| Molecular Weight: | 390.48 |
| Molecular Formula: | C23 H26 N4 O2 |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(N1CCCc2ccccc12)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5602 |
| logD: | 2.5602 |
| logSw: | -2.6306 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 43.339 |
| InChI Key: | DCOPHDSHPWNVDN-UHFFFAOYSA-N |