ethyl 3-acetyl-8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Chemical Structure Depiction of
ethyl 3-acetyl-8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
ethyl 3-acetyl-8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Compound characteristics
| Compound ID: | D040-0063 |
| Compound Name: | ethyl 3-acetyl-8,9-dimethyl-1-(4-nitrophenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate |
| Molecular Weight: | 422.48 |
| Molecular Formula: | C17 H18 N4 O5 S2 |
| Smiles: | CCOC(C1=C(C)N(C)C2(N(c3ccc(cc3)[N+]([O-])=O)N=C(C(C)=O)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2868 |
| logD: | 3.2868 |
| logSw: | -3.4236 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 84.067 |
| InChI Key: | SJKBVUKRIBFLTK-KRWDZBQOSA-N |