dimethyl 8,9-dimethyl-1-(4-methylphenyl)-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-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
dimethyl 8,9-dimethyl-1-(4-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0039 |
| Compound Name: | dimethyl 8,9-dimethyl-1-(4-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 393.48 |
| Molecular Formula: | C17 H19 N3 O4 S2 |
| Smiles: | CC1=C(C(=O)OC)SC2(N1C)N(c1ccc(C)cc1)N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5418 |
| logD: | 3.5418 |
| logSw: | -3.5909 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.453 |
| InChI Key: | QBRPCEFTAMMKPH-KRWDZBQOSA-N |