1,3-dimethyl-5-(4-methyl-3-nitrophenyl)-10-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-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: | D280-0336 |
| Compound Name: | 1,3-dimethyl-5-(4-methyl-3-nitrophenyl)-10-(thiophen-2-yl)-1,7,8,10-tetrahydro-2H-pyrimido[4',5':3,4]pyrrolo[2,1-c][1,4]oxazine-2,4(3H)-dione |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | Cc1ccc(cc1[N+]([O-])=O)c1c2C(N(C)C(N(C)c2c2C(c3cccs3)OCCn12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0732 |
| logD: | 4.0732 |
| logSw: | -4.3339 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.479 |
| InChI Key: | WOIBITDSCJKYSH-FQEVSTJZSA-N |