methyl 7-acetyl-8-methyl-1-(2-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Chemical Structure Depiction of
methyl 7-acetyl-8-methyl-1-(2-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
methyl 7-acetyl-8-methyl-1-(2-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Compound characteristics
| Compound ID: | 6806-2966 |
| Compound Name: | methyl 7-acetyl-8-methyl-1-(2-methylphenyl)-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate |
| Molecular Weight: | 439.55 |
| Molecular Formula: | C22 H21 N3 O3 S2 |
| Smiles: | CC1=C(C(C)=O)SC2(N1c1ccccc1)N(c1ccccc1C)N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5943 |
| logD: | 4.5943 |
| logSw: | -4.4339 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 50.156 |
| InChI Key: | LJOMXDWIGKEMBY-QFIPXVFZSA-N |