1,3-dimethyl-5-(4-methyl-3-nitrophenyl)-10-(2-methylpropyl)-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-dimethyl-5-(4-methyl-3-nitrophenyl)-10-(2-methylpropyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione
1,3-dimethyl-5-(4-methyl-3-nitrophenyl)-10-(2-methylpropyl)-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: | D280-0368 |
| Compound Name: | 1,3-dimethyl-5-(4-methyl-3-nitrophenyl)-10-(2-methylpropyl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C22 H26 N4 O5 |
| Smiles: | CC(C)CC1c2c3c(C(N(C)C(N3C)=O)=O)c(c3ccc(C)c(c3)[N+]([O-])=O)n2CCO1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4053 |
| logD: | 4.4053 |
| logSw: | -4.5175 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 73.974 |
| InChI Key: | BOSORQVJEKQZJL-INIZCTEOSA-N |