AC1OBQ3A
3-[(E)-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: (E)-3-(((2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl)methylene)amino)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|3-({(E)-[2,5-dimethyl-1-(4-nitrophenyl)-1H-pyrrol-3-yl]methylidene}amino)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-({(E)-1-[2,5-DIMETHYL-1-(4-NITROPHENYL)-1H-PYRROL-3-YL]METHYLIDENE}AMINO)-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE|3-[(E)-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|3-{(1E)-2-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]-1-azavinyl}-3,5,6,7,8-pe ntahydrobenzo[b]thiopheno[2,3-d]pyrimidin-4-one
| Molecular Formula | C23H21N5O3S |
|---|---|
| Molecular Weight | 447.1365 g/mol |
| LogP | 4.53474 |
| Topological Polar Surface Area | 95.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 447.1365 |
| Monoisotopic Mass | 447.1365 |
| Heavy Atoms | 32 |
| Complexity | 1443.3085 |
Chemical Identifiers
| CAS Number | 384357-40-8 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC=C(C=C2)[N+](=O)[O-])C)/C=N/N3C=NC4=C(C3=O)C5=C(S4)CCCC5 |
Product Overview
AC1OBQ3A (CAS 384357-40-8), with molecular formula C23H21N5O3S and molecular weight 447.1365 g/mol. IUPAC: 3-[(E)-[2,5-dimethyl-1-(4-nitrophenyl)pyrrol-3-yl]methylideneamino]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.