ethyl 3-acetyl-9-methyl-1-(3-methylphenyl)-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Chemical Structure Depiction of
ethyl 3-acetyl-9-methyl-1-(3-methylphenyl)-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
ethyl 3-acetyl-9-methyl-1-(3-methylphenyl)-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Compound characteristics
| Compound ID: | D040-0299 |
| Compound Name: | ethyl 3-acetyl-9-methyl-1-(3-methylphenyl)-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate |
| Molecular Weight: | 419.56 |
| Molecular Formula: | C20 H25 N3 O3 S2 |
| Smiles: | CCCC1=C(C(=O)OCC)SC2(N1C)N(c1cccc(C)c1)N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8682 |
| logD: | 4.8682 |
| logSw: | -4.5596 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.047 |
| InChI Key: | GPSWNZGWGFAGHL-FQEVSTJZSA-N |