methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Chemical Structure Depiction of
methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate
Compound characteristics
| Compound ID: | D040-0407 |
| Compound Name: | methyl 7-acetyl-1-(4-methoxyphenyl)-8-methyl-9-phenyl-4,6-dithia-1,2,9-triazaspiro[4.4]nona-2,7-diene-3-carboxylate |
| Molecular Weight: | 455.55 |
| Molecular Formula: | C22 H21 N3 O4 S2 |
| Smiles: | CC1=C(C(C)=O)SC2(N1c1ccccc1)N(c1ccc(cc1)OC)N=C(C(=O)OC)S2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1641 |
| logD: | 4.1641 |
| logSw: | -4.2762 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58 |
| InChI Key: | WMXQTUMYISTGNN-QFIPXVFZSA-N |