3-ethyl 7-methyl 8,9-dimethyl-1-(4-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Chemical Structure Depiction of
3-ethyl 7-methyl 8,9-dimethyl-1-(4-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
3-ethyl 7-methyl 8,9-dimethyl-1-(4-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0046 |
| Compound Name: | 3-ethyl 7-methyl 8,9-dimethyl-1-(4-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C18 H21 N3 O4 S2 |
| Smiles: | CCOC(C1=NN(c2ccc(C)cc2)C2(N(C)C(C)=C(C(=O)OC)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9638 |
| logD: | 3.9638 |
| logSw: | -3.9267 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.032 |
| InChI Key: | XNHCTGNUNMERRX-SFHVURJKSA-N |