diethyl 1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Chemical Structure Depiction of
diethyl 1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
diethyl 1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0079 |
| Compound Name: | diethyl 1-(4-bromophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 486.4 |
| Molecular Formula: | C18 H20 Br N3 O4 S2 |
| Smiles: | CCOC(C1=C(C)N(C)C2(N(c3ccc(cc3)[Br])N=C(C(=O)OCC)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7964 |
| logD: | 4.7964 |
| logSw: | -4.4864 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.612 |
| InChI Key: | QVIRFJFGGVTJMH-SFHVURJKSA-N |