diethyl 8,9-dimethyl-1-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Chemical Structure Depiction of
diethyl 8,9-dimethyl-1-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
diethyl 8,9-dimethyl-1-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3,7-dicarboxylate
Compound characteristics
| Compound ID: | D040-0072 |
| Compound Name: | diethyl 8,9-dimethyl-1-phenyl-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=C(C)N(C)C2(N(c3ccccc3)N=C(C(=O)OCC)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8409 |
| logD: | 3.8409 |
| logSw: | -3.8361 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.612 |
| InChI Key: | MCSRFEUZXYOAKM-SFHVURJKSA-N |