N-(2-chloro-4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
N-(2-chloro-4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine
Compound characteristics
| Compound ID: | E679-0771 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-7,8,9,10-tetrahydro-6H-azepino[1,2-e]purin-4-amine |
| Molecular Weight: | 327.81 |
| Molecular Formula: | C17 H18 Cl N5 |
| Smiles: | Cc1ccc(c(c1)[Cl])Nc1c2c(ncn1)n1CCCCCc1n2 |
| Stereo: | ACHIRAL |
| logP: | 4.1761 |
| logD: | 4.1758 |
| logSw: | -4.2585 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.064 |
| InChI Key: | QOPLSFAOZJTIEG-UHFFFAOYSA-N |