7-ethyl 3-methyl 8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Chemical Structure Depiction of
7-ethyl 3-methyl 8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
7-ethyl 3-methyl 8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0459 |
| Compound Name: | 7-ethyl 3-methyl 8-methyl-1-(4-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=C(C)N(c2ccccc2)C2(N(c3ccc(cc3)[N+]([O-])=O)N=C(C(=O)OC)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7088 |
| logD: | 4.7088 |
| logSw: | -4.4478 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 90.765 |
| InChI Key: | FVOVPFULFOMEKS-QFIPXVFZSA-N |