ethyl 7-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Chemical Structure Depiction of
ethyl 7-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
ethyl 7-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Compound characteristics
| Compound ID: | D040-0418 |
| Compound Name: | ethyl 7-acetyl-8-methyl-1-(4-nitrophenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C22 H20 N4 O5 S2 |
| Smiles: | CCOC(C1=NN(c2ccc(cc2)[N+]([O-])=O)C2(N(C(C)=C(C(C)=O)S2)c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5295 |
| logD: | 4.5295 |
| logSw: | -4.2648 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 83.418 |
| InChI Key: | KFZAWYGJSXAKCC-QFIPXVFZSA-N |