[2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate

C120H93N7O23S7 — CID 157361255

IUPAC[2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate
SMILESCC(=O)Oc1cc(C)c(-c2nc3ccccc3c(=O)s2)cc1C.CC(=O)Oc1ccc(-c2nc(=O)c3cc(C)ccc3s2)cc1.CC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)c(C)c1.CC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)cc1.CC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)cc1C.CCC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)c(OC)c1.COc1cccc2c(=O)nc(-c3ccc(OC(C)=O)cc3)sc12
InChIInChI=1S/C18H15NO4S.C18H15NO3S.C17H13NO4S.3C17H13NO3S.C16H11NO3S/c1-3-16(20)23-11-8-9-13(15(10-11)22-2)17-19-14-7-5-4-6-12(14)18(21)24-17;1-10-9-16(22-12(3)20)11(2)8-14(10)17-19-15-7-5-4-6-13(15)18(21)23-17;1-10(19)22-12-8-6-11(7-9-12)17-18-16(20)13-4-3-5-14(21-2)15(13)23-17;1-10-3-8-15-14(9-10)16(20)18-17(22-15)12-4-6-13(7-5-12)21-11(2)19;1-10-9-12(21-11(2)19)7-8-13(10)16-18-15-6-4-3-5-14(15)17(20)22-16;1-10-9-12(7-8-15(10)21-11(2)19)16-18-14-6-4-3-5-13(14)17(20)22-16;1-10(18)20-12-8-6-11(7-9-12)15-17-14-5-3-2-4-13(14)16(19)21-15/h4-10H,3H2,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3*3-9H,1-2H3;2-9H,1H3
InChIKeyBIQYLAZAFIMIFN-UHFFFAOYSA-N
MW2225.56 g/mol
LogP24.69
Rot. Bonds17

About [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate

[2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate (PubChem CID 157361255) has the molecular formula C120H93N7O23S7 and a molecular weight of 2225.56 g/mol. Its IUPAC name is [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate.

Molecular Properties

Compound Name[2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate
PubChem CID157361255
Molecular FormulaC120H93N7O23S7
Molecular Weight2225.56 g/mol
Exact Mass2223.44
IUPAC Name[2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate
SMILESCC(=O)Oc1cc(C)c(-c2nc3ccccc3c(=O)s2)cc1C.CC(=O)Oc1ccc(-c2nc(=O)c3cc(C)ccc3s2)cc1.CC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)c(C)c1.CC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)cc1.CC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)cc1C.CCC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)c(OC)c1.COc1cccc2c(=O)nc(-c3ccc(OC(C)=O)cc3)sc12
InChIInChI=1S/C18H15NO4S.C18H15NO3S.C17H13NO4S.3C17H13NO3S.C16H11NO3S/c1-3-16(20)23-11-8-9-13(15(10-11)22-2)17-19-14-7-5-4-6-12(14)18(21)24-17;1-10-9-16(22-12(3)20)11(2)8-14(10)17-19-15-7-5-4-6-13(15)18(21)23-17;1-10(19)22-12-8-6-11(7-9-12)17-18-16(20)13-4-3-5-14(21-2)15(13)23-17;1-10-3-8-15-14(9-10)16(20)18-17(22-15)12-4-6-13(7-5-12)21-11(2)19;1-10-9-12(21-11(2)19)7-8-13(10)16-18-15-6-4-3-5-14(15)17(20)22-16;1-10-9-12(7-8-15(10)21-11(2)19)16-18-14-6-4-3-5-13(14)17(20)22-16;1-10(18)20-12-8-6-11(7-9-12)15-17-14-5-3-2-4-13(14)16(19)21-15/h4-10H,3H2,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3*3-9H,1-2H3;2-9H,1H3
InChIKeyBIQYLAZAFIMIFN-UHFFFAOYSA-N
XLogP24.69
TPSA412.28 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds17
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002225.56
LogP ≤ 524.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-(6-methyl-4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate
CID 118509707
[2-methyl-4-(4-sulfanylidene-1,3-benzothiazin-2-yl)phenyl] acetate
CID 118509683
[3-methyl-2-(5-methyl-1,3-benzothiazol-2-yl)phenyl] acetate
CID 135069738
[2-methyl-4-(4-sulfanylidene-3,1-benzoxazin-2-yl)phenyl] acetate
CID 118509668
[2,5-dimethyl-4-(4-sulfanylidene-3,1-benzoxazin-2-yl)phenyl] acetate
CID 118509695
[2-(1,3-benzothiazol-2-yl)-3-methylphenyl] propanoate
CID 175153186
[3-fluoro-2-(5-methyl-1,3-benzothiazol-2-yl)phenyl] acetate
CID 135066864
[4-(6-chloro-4-sulfanylidene-1,3-benzothiazin-2-yl)phenyl] acetate
CID 118509702
N-[3-(6-methyl-1,3-benzothiazol-2-yl)-2-(3,4,5-trimethoxyphenyl)phenyl]acetamide
CID 57075769
2-(4-methoxyphenyl)-6-methyl-1,3-benzothiazole
CID 12939261
2-(2-methoxy-4-phenylphenyl)-1,3-benzothiazole
CID 58511530
N-[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]-2,6-dimethoxybenzamide
CID 46502802

Frequently Asked Questions

What is the IUPAC name of [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate?
The IUPAC name of [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate (CID 157361255) is [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate.
What is the SMILES notation for [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate?
The canonical SMILES for [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate is CC(=O)Oc1cc(C)c(-c2nc3ccccc3c(=O)s2)cc1C.CC(=O)Oc1ccc(-c2nc(=O)c3cc(C)ccc3s2)cc1.CC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)c(C)c1.CC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)cc1.CC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)cc1C.CCC(=O)Oc1ccc(-c2nc3ccccc3c(=O)s2)c(OC)c1.COc1cccc2c(=O)nc(-c3ccc(OC(C)=O)cc3)sc12.
What is the InChIKey of [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate?
The InChIKey is BIQYLAZAFIMIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO4S.C18H15NO3S.C17H13NO4S.3C17H13NO3S.C16H11NO3S/c1-3-16(20)23-11-8-9-13(15(10-11)22-2)17-19-14-7-5-4-6-12(14)18(21)24-17;1-10-9-16(22-12(3)20)11(2)8-14(10)17-19-15-7-5-4-6-13(15)18(21)23-17;1-10(19)22-12-8-6-11(7-9-12)17-18-16(20)13-4-3-5-14(21-2)15(13)23-17;1-10-3-8-15-14(9-10)16(20)18-17(22-15)12-4-6-13(7-5-12)21-11(2)19;1-10-9-12(21-11(2)19)7-8-13(10)16-18-15-6-4-3-5-14(15)17(20)22-16;1-10-9-12(7-8-15(10)21-11(2)19)16-18-14-6-4-3-5-13(14)17(20)22-16;1-10(18)20-12-8-6-11(7-9-12)15-17-14-5-3-2-4-13(14)16(19)21-15/h4-10H,3H2,1-2H3;4-9H,1-3H3;3-9H,1-2H3;3*3-9H,1-2H3;2-9H,1H3.
What are the key properties of [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate?
[2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate has a molecular weight of 2225.56 g/mol, XLogP of 24.69, 17 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-dimethyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(8-methoxy-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[3-methoxy-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] propanoate;[2-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[3-methyl-4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate;[4-(6-methyl-4-oxo-1,3-benzothiazin-2-yl)phenyl] acetate;[4-(4-oxo-3,1-benzothiazin-2-yl)phenyl] acetate is sourced from PubChem (CID 157361255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).