N-(3-chlorophenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-(3-chlorophenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0284 |
| Compound Name: | N-(3-chlorophenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 438.96 |
| Molecular Formula: | C23 H27 Cl N6 O |
| Smiles: | CN(C(C1CCCN(C1)c1c2c(ncn1)n1CCCCCc1n2)=O)c1cccc(c1)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7884 |
| logD: | 3.7826 |
| logSw: | -4.1013 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.898 |
| InChI Key: | HDZBQBBCRFHRIE-INIZCTEOSA-N |