7-ethyl 3-methyl 1-(4-bromophenyl)-9-methyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Chemical Structure Depiction of
7-ethyl 3-methyl 1-(4-bromophenyl)-9-methyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
7-ethyl 3-methyl 1-(4-bromophenyl)-9-methyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0313 |
| Compound Name: | 7-ethyl 3-methyl 1-(4-bromophenyl)-9-methyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 500.43 |
| Molecular Formula: | C19 H22 Br N3 O4 S2 |
| Smiles: | CCCC1=C(C(=O)OCC)SC2(N1C)N(c1ccc(cc1)[Br])N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3781 |
| logD: | 5.3781 |
| logSw: | -5.3347 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.394 |
| InChI Key: | ZJZBRWOZIIGYEA-IBGZPJMESA-N |