AC1NRDFZ
methyl 2-[1-[3-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate
Also Known As: Methyl (1-{3-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxo-4H-pyrido[1,2-a]pyrimidin-2-yl}-3-oxopiperazin-2-yl)acetate|methyl 2-[1-[3-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate|METHYL 2-[1-[9-[(3-HEXYL-4-OXO-2-SULFANYLIDENE-THIAZOLIDIN-5-YLIDENE)METHYL]-10-OXO-1,7-DIAZABICYCLO[4.4.0]DECA-2,4,6,8-TETRAEN-8-YL]-3-OXO-PIPERAZIN-2-YL]ACETATE
| Molecular Formula | C25H29N5O5S2 |
|---|---|
| Molecular Weight | 543.161 g/mol |
| LogP | 2.3439 |
| Topological Polar Surface Area | 113.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 543.161 |
| Monoisotopic Mass | 543.161 |
| Heavy Atoms | 37 |
| Complexity | 1324.2839 |
Chemical Identifiers
| CAS Number | 4657-18-5 |
|---|---|
| SMILES | CCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCNC(=O)C4CC(=O)OC)SC1=S |
Product Overview
AC1NRDFZ (CAS 4657-18-5), with molecular formula C25H29N5O5S2 and molecular weight 543.161 g/mol. IUPAC: methyl 2-[1-[3-[(3-hexyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]-4-oxopyrido[1,2-a]pyrimidin-2-yl]-3-oxopiperazin-2-yl]acetate.