7-ethyl 3-methyl 9-methyl-1-phenyl-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-phenyl-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-phenyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0307 |
| Compound Name: | 7-ethyl 3-methyl 9-methyl-1-phenyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 421.54 |
| Molecular Formula: | C19 H23 N3 O4 S2 |
| Smiles: | CCCC1=C(C(=O)OCC)SC2(N1C)N(c1ccccc1)N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4226 |
| logD: | 4.4226 |
| logSw: | -4.1929 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.394 |
| InChI Key: | MRMLFINPNMQTBS-IBGZPJMESA-N |