7-ethyl 3-methyl 9-methyl-1-(4-methylphenyl)-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 9-methyl-1-(4-methylphenyl)-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
7-ethyl 3-methyl 9-methyl-1-(4-methylphenyl)-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0309 |
| Compound Name: | 7-ethyl 3-methyl 9-methyl-1-(4-methylphenyl)-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C20 H25 N3 O4 S2 |
| Smiles: | CCCC1=C(C(=O)OCC)SC2(N1C)N(c1ccc(C)cc1)N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9676 |
| logD: | 4.9676 |
| logSw: | -4.4753 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.394 |
| InChI Key: | QFSYFKGZXAXNGM-FQEVSTJZSA-N |