diethyl 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
diethyl 1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
diethyl 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: | D040-0466 |
| Compound Name: | diethyl 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: | 548.48 |
| Molecular Formula: | C23 H22 Br N3 O4 S2 |
| Smiles: | CCOC(C1=C(C)N(c2ccccc2)C2(N(c3ccc(cc3)[Br])N=C(C(=O)OCC)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0391 |
| logD: | 6.0391 |
| logSw: | -5.519 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 56.964 |
| InChI Key: | AHOJYHJIGVPTNS-QHCPKHFHSA-N |