ethyl 7-acetyl-1-(4-methoxyphenyl)-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-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
ethyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Compound characteristics
| Compound ID: | D040-0413 |
| Compound Name: | ethyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate |
| Molecular Weight: | 469.58 |
| Molecular Formula: | C23 H23 N3 O4 S2 |
| Smiles: | CCOC(C1=NN(c2ccc(cc2)OC)C2(N(C(C)=C(C(C)=O)S2)c2ccccc2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5862 |
| logD: | 4.5862 |
| logSw: | -4.3641 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 57.58 |
| InChI Key: | ZTOOJRVITUDFSO-QHCPKHFHSA-N |