5-(3-bromophenyl)-6-(1-hydroxybutan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Chemical Structure Depiction of
5-(3-bromophenyl)-6-(1-hydroxybutan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
5-(3-bromophenyl)-6-(1-hydroxybutan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione
Compound characteristics
Compound ID: | D383-0070 |
Compound Name: | 5-(3-bromophenyl)-6-(1-hydroxybutan-2-yl)-1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione |
Molecular Weight: | 406.28 |
Molecular Formula: | C18 H20 Br N3 O3 |
Smiles: | CCC(CO)n1cc2c(C(N(C)C(N2C)=O)=O)c1c1cccc(c1)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 3.1029 |
logD: | 3.1029 |
logSw: | -3.1409 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 49.675 |
InChI Key: | SWIIAGHEDCZNLC-ZDUSSCGKSA-N |