ethyl 7-acetyl-1-(3-chlorophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Chemical Structure Depiction of
ethyl 7-acetyl-1-(3-chlorophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
ethyl 7-acetyl-1-(3-chlorophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Compound characteristics
| Compound ID: | D040-0021 |
| Compound Name: | ethyl 7-acetyl-1-(3-chlorophenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate |
| Molecular Weight: | 411.93 |
| Molecular Formula: | C17 H18 Cl N3 O3 S2 |
| Smiles: | CCOC(C1=NN(c2cccc(c2)[Cl])C2(N(C)C(C)=C(C(C)=O)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0055 |
| logD: | 4.0055 |
| logSw: | -4.3194 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.685 |
| InChI Key: | LLPHSMQBEBFQBI-KRWDZBQOSA-N |