7-[(4-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Chemical Structure Depiction of
7-[(4-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
7-[(4-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Compound characteristics
| Compound ID: | 8018-6193 |
| Compound Name: | 7-[(4-chlorophenyl)methyl]-8-(1,4-diazepan-1-yl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione |
| Molecular Weight: | 402.88 |
| Molecular Formula: | C19 H23 Cl N6 O2 |
| Smiles: | CN1C(c2c(nc(N3CCCNCC3)n2Cc2ccc(cc2)[Cl])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4443 |
| logD: | -0.6276 |
| logSw: | -3.3618 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.989 |
| InChI Key: | DYGQLYLDEVFDDI-UHFFFAOYSA-N |