5-(3-bromophenyl)-1,3,6-trimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(3-bromophenyl)-1,3,6-trimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(3-bromophenyl)-1,3,6-trimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
| Compound ID: | D383-0039 |
| Compound Name: | 5-(3-bromophenyl)-1,3,6-trimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
| Molecular Weight: | 348.2 |
| Molecular Formula: | C15 H14 Br N3 O2 |
| Smiles: | CN1C(c2c(cn(C)c2c2cccc(c2)[Br])N(C)C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8303 |
| logD: | 2.8303 |
| logSw: | -3.2456 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 33.156 |
| InChI Key: | XITDHCAGPCOSOW-UHFFFAOYSA-N |