1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide

C138H159Br3N18O32S5 — CID 157169134

IUPAC1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(n2c(=O)c3c(C)c(-c4ncco4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CCC1.CNC(=O)C1(n2c(=O)c3c(C)c(Br)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CCC1.CNC(=O)C1(n2c(=O)c3c(C)c(Br)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CCCC1.COc1ccccc1C(Cn1c(=O)n(C2(C(N)=O)CCC2)c(=O)c2c(C)c(Br)sc21)OC1CCOCC1.COc1ccccc1[C@H](Cn1c(=O)n(C2(C(=O)O)CC2)c(=O)c2c(C)c(-n3nccn3)sc21)OC1CCOCC1
InChIInChI=1S/C30H34N4O7S.C28H34BrN3O6S.C27H32BrN3O6S.C27H29N5O7S.C26H30BrN3O6S/c1-18-23-26(35)34(30(11-6-12-30)28(36)31-2)29(37)33(27(23)42-24(18)25-32-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-4-5-8-21(20)38-3;1-17-22-24(33)32(28(26(34)30-2)12-6-7-13-28)27(35)31(25(22)39-23(17)29)16-21(38-18-10-14-37-15-11-18)19-8-4-5-9-20(19)36-3;1-16-21-23(32)31(27(11-6-12-27)25(33)29-2)26(34)30(24(21)38-22(16)28)15-20(37-17-9-13-36-14-10-17)18-7-4-5-8-19(18)35-3;1-16-21-22(33)31(27(9-10-27)25(34)35)26(36)30(24(21)40-23(16)32-28-11-12-29-32)15-20(39-17-7-13-38-14-8-17)18-5-3-4-6-19(18)37-2;1-15-20-22(31)30(26(24(28)32)10-5-11-26)25(33)29(23(20)37-21(15)27)14-19(36-16-8-12-35-13-9-16)17-6-3-4-7-18(17)34-2/h4-5,7-8,13,16,19,22H,6,9-12,14-15,17H2,1-3H3,(H,31,36);4-5,8-9,18,21H,6-7,10-16H2,1-3H3,(H,30,34);4-5,7-8,17,20H,6,9-15H2,1-3H3,(H,29,33);3-6,11-12,17,20H,7-10,13-15H2,1-2H3,(H,34,35);3-4,6-7,16,19H,5,8-14H2,1-2H3,(H2,28,32)/t;;;20-;/m...0./s1
InChIKeyANGFVMJLLWCDCZ-UBPROSFFSA-N
MW2981.93 g/mol
LogP18.12
Rot. Bonds42

About 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide

1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide (PubChem CID 157169134) has the molecular formula C138H159Br3N18O32S5 and a molecular weight of 2981.93 g/mol. Its IUPAC name is 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide
PubChem CID157169134
Molecular FormulaC138H159Br3N18O32S5
Molecular Weight2981.93 g/mol
Exact Mass2976.75
IUPAC Name1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide
SMILESCNC(=O)C1(n2c(=O)c3c(C)c(-c4ncco4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CCC1.CNC(=O)C1(n2c(=O)c3c(C)c(Br)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CCC1.CNC(=O)C1(n2c(=O)c3c(C)c(Br)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CCCC1.COc1ccccc1C(Cn1c(=O)n(C2(C(N)=O)CCC2)c(=O)c2c(C)c(Br)sc21)OC1CCOCC1.COc1ccccc1[C@H](Cn1c(=O)n(C2(C(=O)O)CC2)c(=O)c2c(C)c(-n3nccn3)sc21)OC1CCOCC1
InChIInChI=1S/C30H34N4O7S.C28H34BrN3O6S.C27H32BrN3O6S.C27H29N5O7S.C26H30BrN3O6S/c1-18-23-26(35)34(30(11-6-12-30)28(36)31-2)29(37)33(27(23)42-24(18)25-32-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-4-5-8-21(20)38-3;1-17-22-24(33)32(28(26(34)30-2)12-6-7-13-28)27(35)31(25(22)39-23(17)29)16-21(38-18-10-14-37-15-11-18)19-8-4-5-9-20(19)36-3;1-16-21-23(32)31(27(11-6-12-27)25(33)29-2)26(34)30(24(21)38-22(16)28)15-20(37-17-9-13-36-14-10-17)18-7-4-5-8-19(18)35-3;1-16-21-22(33)31(27(9-10-27)25(34)35)26(36)30(24(21)40-23(16)32-28-11-12-29-32)15-20(39-17-7-13-38-14-8-17)18-5-3-4-6-19(18)37-2;1-15-20-22(31)30(26(24(28)32)10-5-11-26)25(33)29(23(20)37-21(15)27)14-19(36-16-8-12-35-13-9-16)17-6-3-4-7-18(17)34-2/h4-5,7-8,13,16,19,22H,6,9-12,14-15,17H2,1-3H3,(H,31,36);4-5,8-9,18,21H,6-7,10-16H2,1-3H3,(H,30,34);4-5,7-8,17,20H,6,9-15H2,1-3H3,(H,29,33);3-6,11-12,17,20H,7-10,13-15H2,1-2H3,(H,34,35);3-4,6-7,16,19H,5,8-14H2,1-2H3,(H2,28,32)/t;;;20-;/m...0./s1
InChIKeyANGFVMJLLWCDCZ-UBPROSFFSA-N
XLogP18.12
TPSA582.88 Ų
H-Bond Donors5
H-Bond Acceptors50
Rotatable Bonds42
Heavy Atoms196
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002981.93
LogP ≤ 518.12
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1050

Analyze 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide?
The IUPAC name of 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide (CID 157169134) is 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide is CNC(=O)C1(n2c(=O)c3c(C)c(-c4ncco4)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CCC1.CNC(=O)C1(n2c(=O)c3c(C)c(Br)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CCC1.CNC(=O)C1(n2c(=O)c3c(C)c(Br)sc3n(CC(OC3CCOCC3)c3ccccc3OC)c2=O)CCCC1.COc1ccccc1C(Cn1c(=O)n(C2(C(N)=O)CCC2)c(=O)c2c(C)c(Br)sc21)OC1CCOCC1.COc1ccccc1[C@H](Cn1c(=O)n(C2(C(=O)O)CC2)c(=O)c2c(C)c(-n3nccn3)sc21)OC1CCOCC1.
What is the InChIKey of 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide?
The InChIKey is ANGFVMJLLWCDCZ-UBPROSFFSA-N. The full InChI is InChI=1S/C30H34N4O7S.C28H34BrN3O6S.C27H32BrN3O6S.C27H29N5O7S.C26H30BrN3O6S/c1-18-23-26(35)34(30(11-6-12-30)28(36)31-2)29(37)33(27(23)42-24(18)25-32-13-16-40-25)17-22(41-19-9-14-39-15-10-19)20-7-4-5-8-21(20)38-3;1-17-22-24(33)32(28(26(34)30-2)12-6-7-13-28)27(35)31(25(22)39-23(17)29)16-21(38-18-10-14-37-15-11-18)19-8-4-5-9-20(19)36-3;1-16-21-23(32)31(27(11-6-12-27)25(33)29-2)26(34)30(24(21)38-22(16)28)15-20(37-17-9-13-36-14-10-17)18-7-4-5-8-19(18)35-3;1-16-21-22(33)31(27(9-10-27)25(34)35)26(36)30(24(21)40-23(16)32-28-11-12-29-32)15-20(39-17-7-13-38-14-8-17)18-5-3-4-6-19(18)37-2;1-15-20-22(31)30(26(24(28)32)10-5-11-26)25(33)29(23(20)37-21(15)27)14-19(36-16-8-12-35-13-9-16)17-6-3-4-7-18(17)34-2/h4-5,7-8,13,16,19,22H,6,9-12,14-15,17H2,1-3H3,(H,31,36);4-5,8-9,18,21H,6-7,10-16H2,1-3H3,(H,30,34);4-5,7-8,17,20H,6,9-15H2,1-3H3,(H,29,33);3-6,11-12,17,20H,7-10,13-15H2,1-2H3,(H,34,35);3-4,6-7,16,19H,5,8-14H2,1-2H3,(H2,28,32)/t;;;20-;/m...0./s1.
What are the key properties of 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide?
1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide has a molecular weight of 2981.93 g/mol, XLogP of 18.12, 42 rotatable bonds, 5 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]cyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide;1-[6-bromo-1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclopentane-1-carboxamide;1-[1-[(2R)-2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-2,4-dioxo-6-(triazol-2-yl)thieno[2,3-d]pyrimidin-3-yl]cyclopropane-1-carboxylic acid;1-[1-[2-(2-methoxyphenyl)-2-(oxan-4-yloxy)ethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,4-dioxothieno[2,3-d]pyrimidin-3-yl]-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 157169134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).