dimethyl 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
dimethyl 8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
dimethyl 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: | D040-0044 |
| Compound Name: | dimethyl 8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 424.45 |
| Molecular Formula: | C16 H16 N4 O6 S2 |
| Smiles: | CC1=C(C(=O)OC)SC2(N1C)N(c1ccc(cc1)[N+]([O-])=O)N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.044 |
| logD: | 3.044 |
| logSw: | -3.3928 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 91.834 |
| InChI Key: | OQLYXYJFMWNQAW-INIZCTEOSA-N |