5-(3-bromophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Chemical Structure Depiction of
5-(3-bromophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
5-(3-bromophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
Compound characteristics
| Compound ID: | D383-0008 |
| Compound Name: | 5-(3-bromophenyl)-10-(3,4-dihydroxyphenyl)-1,3-dimethyl-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione |
| Molecular Weight: | 498.33 |
| Molecular Formula: | C23 H20 Br N3 O5 |
| Smiles: | CN1C(c2c(c3C(c4ccc(c(c4)O)O)OCCn3c2c2cccc(c2)[Br])N(C)C1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9132 |
| logD: | 3.8885 |
| logSw: | -3.7373 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.476 |
| InChI Key: | HDDXTMLKBNWKRV-OAQYLSRUSA-N |