ethyl 3-acetyl-1-(4-methoxyphenyl)-9-methyl-8-propyl-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)-9-methyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
ethyl 3-acetyl-1-(4-methoxyphenyl)-9-methyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate
Compound characteristics
| Compound ID: | D040-0301 |
| Compound Name: | ethyl 3-acetyl-1-(4-methoxyphenyl)-9-methyl-8-propyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-7-carboxylate |
| Molecular Weight: | 435.56 |
| Molecular Formula: | C20 H25 N3 O4 S2 |
| Smiles: | CCCC1=C(C(=O)OCC)SC2(N1C)N(c1ccc(cc1)OC)N=C(C(C)=O)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3473 |
| logD: | 4.3473 |
| logSw: | -4.1944 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.59 |
| InChI Key: | YBMWQYANOGPSLU-FQEVSTJZSA-N |