N-(5-chloro-2-methylphenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
N-(5-chloro-2-methylphenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | E715-0617 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-N-methyl-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-4-carboxamide |
| Molecular Weight: | 452.99 |
| Molecular Formula: | C24 H29 Cl N6 O |
| Smiles: | Cc1ccc(cc1N(C)C(C1CCN(CC1)c1c2c(ncn1)n1CCCCCc1n2)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5002 |
| logD: | 4.4944 |
| logSw: | -4.6261 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 51.664 |
| InChI Key: | XKKLKHCXQSGPFQ-UHFFFAOYSA-N |