ethyl 3-acetyl-1-(4-methoxyphenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Chemical Structure Depiction of
ethyl 3-acetyl-1-(4-methoxyphenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
ethyl 3-acetyl-1-(4-methoxyphenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Compound characteristics
| Compound ID: | D040-0058 |
| Compound Name: | ethyl 3-acetyl-1-(4-methoxyphenyl)-8,9-dimethyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate |
| Molecular Weight: | 407.51 |
| Molecular Formula: | C18 H21 N3 O4 S2 |
| Smiles: | CCOC(C1=C(C)N(C)C2(N(c3ccc(cc3)OC)N=C(C(C)=O)S2)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3436 |
| logD: | 3.3436 |
| logSw: | -3.4322 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.229 |
| InChI Key: | PGBNBHDXPGBPNR-SFHVURJKSA-N |