1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-(3-nitrophenyl)-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
1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-(3-nitrophenyl)-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: | D359-0817 |
| Compound Name: | 1,3,7,7-tetramethyl-5-(3-methylphenyl)-10-(3-nitrophenyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione |
| Molecular Weight: | 474.52 |
| Molecular Formula: | C26 H26 N4 O5 |
| Smiles: | Cc1cccc(c1)c1c2C(N(C)C(N(C)c2c2C(c3cccc(c3)[N+]([O-])=O)OCC(C)(C)n12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6663 |
| logD: | 4.6663 |
| logSw: | -4.6906 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.684 |
| InChI Key: | WDMZFUZZPABGAV-HSZRJFAPSA-N |