3-ethyl 7-methyl 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
3-ethyl 7-methyl 1-(4-bromophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
3-ethyl 7-methyl 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: | D040-0443 |
| Compound Name: | 3-ethyl 7-methyl 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: | 534.45 |
| Molecular Formula: | C22 H20 Br N3 O4 S2 |
| Smiles: | CCOC(C1=NN(c2ccc(cc2)[Br])C2(N(C(C)=C(C(=O)OC)S2)c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.617 |
| logD: | 5.617 |
| logSw: | -5.4349 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.384 |
| InChI Key: | SPAPHJCPQUYDON-QFIPXVFZSA-N |