1-{2-[4-(2-methoxyphenyl)piperazin-1-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-[4-(2-methoxyphenyl)piperazin-1-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-[4-(2-methoxyphenyl)piperazin-1-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: | S466-0401 |
| Compound Name: | 1-{2-[4-(2-methoxyphenyl)piperazin-1-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: | 449.55 |
| Molecular Formula: | C25 H31 N5 O3 |
| Smiles: | Cc1cc2c(C(N3CCCCCC3=N2)=O)n1CC(N1CCN(CC1)c1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0725 |
| logD: | 2.0721 |
| logSw: | -2.5358 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 55.264 |
| InChI Key: | XSSMWFCYDKMYPL-UHFFFAOYSA-N |