N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | E715-0218 |
| Compound Name: | N-({1-[(2,5-dimethylphenyl)methyl]piperidin-4-yl}methyl)-1-(7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-yl)piperidine-3-carboxamide |
| Molecular Weight: | 529.73 |
| Molecular Formula: | C31 H43 N7 O |
| Smiles: | Cc1ccc(C)c(CN2CCC(CC2)CNC(C2CCCN(C2)c2c3c(ncn2)n2CCCCCc2n3)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9318 |
| logD: | 2.6546 |
| logSw: | -4.5465 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.675 |
| InChI Key: | JYHAACABIRGFQQ-VWLOTQADSA-N |