3-ethyl 7-methyl 8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Chemical Structure Depiction of
3-ethyl 7-methyl 8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
3-ethyl 7-methyl 8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0054 |
| Compound Name: | 3-ethyl 7-methyl 8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 438.48 |
| Molecular Formula: | C17 H18 N4 O6 S2 |
| Smiles: | CCOC(C1=NN(c2ccc(cc2)[N+]([O-])=O)C2(N(C)C(C)=C(C(=O)OC)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4661 |
| logD: | 3.4661 |
| logSw: | -3.6846 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.414 |
| InChI Key: | HMXJVFWVRSCQNJ-KRWDZBQOSA-N |