diethyl 8,9-dimethyl-1-(3-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Chemical Structure Depiction of
diethyl 8,9-dimethyl-1-(3-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
diethyl 8,9-dimethyl-1-(3-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0080 |
| Compound Name: | diethyl 8,9-dimethyl-1-(3-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C18 H20 N4 O6 S2 |
| Smiles: | CCOC(C1=C(C)N(C)C2(N(c3cccc(c3)[N+]([O-])=O)N=C(C(=O)OCC)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8426 |
| logD: | 3.8426 |
| logSw: | -3.9102 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 90.994 |
| InChI Key: | BHXHUKDPWLYIHU-SFHVURJKSA-N |