ethyl 7-acetyl-1-(4-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Chemical Structure Depiction of
ethyl 7-acetyl-1-(4-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
ethyl 7-acetyl-1-(4-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Compound characteristics
| Compound ID: | D040-0362 |
| Compound Name: | ethyl 7-acetyl-1-(4-chlorophenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate |
| Molecular Weight: | 474 |
| Molecular Formula: | C22 H20 Cl N3 O3 S2 |
| Smiles: | CCOC(C1=NN(c2ccc(cc2)[Cl])C2(N(C(C)=C(C(C)=O)S2)c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1986 |
| logD: | 5.1986 |
| logSw: | -5.6189 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.037 |
| InChI Key: | IMDFZWSDHGPNHO-QFIPXVFZSA-N |