3-ethyl 7-methyl 8-methyl-1-(2-nitrophenyl)-9-phenyl-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-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
3-ethyl 7-methyl 8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0444 |
| Compound Name: | 3-ethyl 7-methyl 8-methyl-1-(2-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 500.55 |
| Molecular Formula: | C22 H20 N4 O6 S2 |
| Smiles: | CCOC(C1=NN(c2ccccc2[N+]([O-])=O)C2(N(C(C)=C(C(=O)OC)S2)c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6314 |
| logD: | 4.6314 |
| logSw: | -4.4474 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 90.163 |
| InChI Key: | MBXNEMJQEOEWPR-QFIPXVFZSA-N |