methyl 7-acetyl-8,9-dimethyl-1-(3-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Chemical Structure Depiction of
methyl 7-acetyl-8,9-dimethyl-1-(3-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
methyl 7-acetyl-8,9-dimethyl-1-(3-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Compound characteristics
| Compound ID: | D040-0011 |
| Compound Name: | methyl 7-acetyl-8,9-dimethyl-1-(3-methylphenyl)-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate |
| Molecular Weight: | 377.48 |
| Molecular Formula: | C17 H19 N3 O3 S2 |
| Smiles: | CC1=C(C(C)=O)SC2(N1C)N(c1cccc(C)c1)N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4423 |
| logD: | 3.4423 |
| logSw: | -3.6617 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 51.105 |
| InChI Key: | XYTYVUGEXQCXEA-KRWDZBQOSA-N |