6-cycloheptyl-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-cycloheptyl-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-cycloheptyl-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0004 |
| Compound Name: | 6-cycloheptyl-1,3-dimethyl-5-phenyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 351.45 |
| Molecular Formula: | C21 H25 N3 O2 |
| Smiles: | CN1C(c2c(cn(C3CCCCCC3)c2c2ccccc2)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1882 |
| logD: | 4.1882 |
| logSw: | -4.1975 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 32.951 |
| InChI Key: | AJXGPSYXKOMMLK-UHFFFAOYSA-N |