6-cyclohexyl-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
6-cyclohexyl-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
6-cyclohexyl-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D077-0353 |
| Compound Name: | 6-cyclohexyl-1,3-dimethyl-5-(3-nitrophenyl)-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 382.42 |
| Molecular Formula: | C20 H22 N4 O4 |
| Smiles: | CN1C(c2c(cn(C3CCCCC3)c2c2cccc(c2)[N+]([O-])=O)N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8297 |
| logD: | 3.8297 |
| logSw: | -4.0135 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 66.002 |
| InChI Key: | IQVLVSIOPFKBKV-UHFFFAOYSA-N |