dimethyl 1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Chemical Structure Depiction of
dimethyl 1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
dimethyl 1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0435 |
| Compound Name: | dimethyl 1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 520.42 |
| Molecular Formula: | C21 H18 Br N3 O4 S2 |
| Smiles: | CC1=C(C(=O)OC)SC2(N1c1ccccc1)N(c1ccc(cc1)[Br])N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1949 |
| logD: | 5.1949 |
| logSw: | -5.1857 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.804 |
| InChI Key: | UNRMNYOCVUPXQL-NRFANRHFSA-N |