2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one

C133H155N21O37S8 — CID 158309324

IUPAC2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one
SMILESCOc1ccccc1[C@H](CN1C(=O)N(C(C)(C)C(=O)O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CN1C(=O)N(C(C)(C)C(N)=O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CN1c2sc(-c3ncco3)c(C)c2C(=O)N(C(C)(C)C(=O)O)S1(=O)=O)Oc1ccccc1.COc1ccccc1[C@H](CN1c2sc(-c3ncco3)c(C)c2C(=O)N(C(C)(C)C(C)=O)S1(=O)=O)OC(C)C.COc1cccnc1[C@H](CN1c2sc(-c3ncco3)c(C)c2C(=O)N(C(C)(C)C(C)=O)S1(=O)=O)OC(C)C
InChIInChI=1S/C28H27N3O8S2.C27H34N6O7S.C27H33N5O8S.C26H31N3O7S2.C25H30N4O7S2/c1-17-22-25(32)31(28(2,3)27(33)34)41(35,36)30(26(22)40-23(17)24-29-14-15-38-24)16-21(39-18-10-6-5-7-11-18)19-12-8-9-13-20(19)37-4;1-27(2,25(28)34)33-26(35)32(22-24(41(33,36)37)31(3)21(30-22)23-29-14-15-39-23)16-20(40-17-10-6-5-7-11-17)18-12-8-9-13-19(18)38-4;1-27(2,25(33)34)32-26(35)31(22-24(41(32,36)37)30(3)21(29-22)23-28-14-15-39-23)16-20(40-17-10-6-5-7-11-17)18-12-8-9-13-19(18)38-4;1-15(2)36-20(18-10-8-9-11-19(18)34-7)14-28-25-21(16(3)22(37-25)23-27-12-13-35-23)24(31)29(38(28,32)33)26(5,6)17(4)30;1-14(2)36-18(20-17(34-7)9-8-10-26-20)13-28-24-19(15(3)21(37-24)22-27-11-12-35-22)23(31)29(38(28,32)33)25(5,6)16(4)30/h5-15,21H,16H2,1-4H3,(H,33,34);8-9,12-15,17,20H,5-7,10-11,16H2,1-4H3,(H2,28,34);8-9,12-15,17,20H,5-7,10-11,16H2,1-4H3,(H,33,34);8-13,15,20H,14H2,1-7H3;8-12,14,18H,13H2,1-7H3/t21-;3*20-;18-/m00000/s1
InChIKeyGNMCZPHLYXODOM-QCJZEWPUSA-N
MW2896.35 g/mol
LogP21.16
Rot. Bonds45

About 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one

2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one (PubChem CID 158309324) has the molecular formula C133H155N21O37S8 and a molecular weight of 2896.35 g/mol. Its IUPAC name is 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one.

Molecular Properties

Compound Name2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one
PubChem CID158309324
Molecular FormulaC133H155N21O37S8
Molecular Weight2896.35 g/mol
Exact Mass2893.87
IUPAC Name2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one
SMILESCOc1ccccc1[C@H](CN1C(=O)N(C(C)(C)C(=O)O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CN1C(=O)N(C(C)(C)C(N)=O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CN1c2sc(-c3ncco3)c(C)c2C(=O)N(C(C)(C)C(=O)O)S1(=O)=O)Oc1ccccc1.COc1ccccc1[C@H](CN1c2sc(-c3ncco3)c(C)c2C(=O)N(C(C)(C)C(C)=O)S1(=O)=O)OC(C)C.COc1cccnc1[C@H](CN1c2sc(-c3ncco3)c(C)c2C(=O)N(C(C)(C)C(C)=O)S1(=O)=O)OC(C)C
InChIInChI=1S/C28H27N3O8S2.C27H34N6O7S.C27H33N5O8S.C26H31N3O7S2.C25H30N4O7S2/c1-17-22-25(32)31(28(2,3)27(33)34)41(35,36)30(26(22)40-23(17)24-29-14-15-38-24)16-21(39-18-10-6-5-7-11-18)19-12-8-9-13-20(19)37-4;1-27(2,25(28)34)33-26(35)32(22-24(41(33,36)37)31(3)21(30-22)23-29-14-15-39-23)16-20(40-17-10-6-5-7-11-17)18-12-8-9-13-19(18)38-4;1-27(2,25(33)34)32-26(35)31(22-24(41(32,36)37)30(3)21(29-22)23-28-14-15-39-23)16-20(40-17-10-6-5-7-11-17)18-12-8-9-13-19(18)38-4;1-15(2)36-20(18-10-8-9-11-19(18)34-7)14-28-25-21(16(3)22(37-25)23-27-12-13-35-23)24(31)29(38(28,32)33)26(5,6)17(4)30;1-14(2)36-18(20-17(34-7)9-8-10-26-20)13-28-24-19(15(3)21(37-24)22-27-11-12-35-22)23(31)29(38(28,32)33)25(5,6)16(4)30/h5-15,21H,16H2,1-4H3,(H,33,34);8-9,12-15,17,20H,5-7,10-11,16H2,1-4H3,(H2,28,34);8-9,12-15,17,20H,5-7,10-11,16H2,1-4H3,(H,33,34);8-13,15,20H,14H2,1-7H3;8-12,14,18H,13H2,1-7H3/t21-;3*20-;18-/m00000/s1
InChIKeyGNMCZPHLYXODOM-QCJZEWPUSA-N
XLogP21.16
TPSA711.26 Ų
H-Bond Donors3
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002896.35
LogP ≤ 521.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1048

Analyze 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one?
The IUPAC name of 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one (CID 158309324) is 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one.
What is the SMILES notation for 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one?
The canonical SMILES for 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one is COc1ccccc1[C@H](CN1C(=O)N(C(C)(C)C(=O)O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CN1C(=O)N(C(C)(C)C(N)=O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CN1c2sc(-c3ncco3)c(C)c2C(=O)N(C(C)(C)C(=O)O)S1(=O)=O)Oc1ccccc1.COc1ccccc1[C@H](CN1c2sc(-c3ncco3)c(C)c2C(=O)N(C(C)(C)C(C)=O)S1(=O)=O)OC(C)C.COc1cccnc1[C@H](CN1c2sc(-c3ncco3)c(C)c2C(=O)N(C(C)(C)C(C)=O)S1(=O)=O)OC(C)C.
What is the InChIKey of 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one?
The InChIKey is GNMCZPHLYXODOM-QCJZEWPUSA-N. The full InChI is InChI=1S/C28H27N3O8S2.C27H34N6O7S.C27H33N5O8S.C26H31N3O7S2.C25H30N4O7S2/c1-17-22-25(32)31(28(2,3)27(33)34)41(35,36)30(26(22)40-23(17)24-29-14-15-38-24)16-21(39-18-10-6-5-7-11-18)19-12-8-9-13-20(19)37-4;1-27(2,25(28)34)33-26(35)32(22-24(41(33,36)37)31(3)21(30-22)23-29-14-15-39-23)16-20(40-17-10-6-5-7-11-17)18-12-8-9-13-19(18)38-4;1-27(2,25(33)34)32-26(35)31(22-24(41(32,36)37)30(3)21(29-22)23-28-14-15-39-23)16-20(40-17-10-6-5-7-11-17)18-12-8-9-13-19(18)38-4;1-15(2)36-20(18-10-8-9-11-19(18)34-7)14-28-25-21(16(3)22(37-25)23-27-12-13-35-23)24(31)29(38(28,32)33)26(5,6)17(4)30;1-14(2)36-18(20-17(34-7)9-8-10-26-20)13-28-24-19(15(3)21(37-24)22-27-11-12-35-22)23(31)29(38(28,32)33)25(5,6)16(4)30/h5-15,21H,16H2,1-4H3,(H,33,34);8-9,12-15,17,20H,5-7,10-11,16H2,1-4H3,(H2,28,34);8-9,12-15,17,20H,5-7,10-11,16H2,1-4H3,(H,33,34);8-13,15,20H,14H2,1-7H3;8-12,14,18H,13H2,1-7H3/t21-;3*20-;18-/m00000/s1.
What are the key properties of 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one?
2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one has a molecular weight of 2896.35 g/mol, XLogP of 21.16, 45 rotatable bonds, 3 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxoimidazo[4,5-e][1,2,4]thiadiazin-2-yl]-2-methylpropanoic acid;2-[1-[(2R)-2-(2-methoxyphenyl)-2-phenoxyethyl]-5-methyl-6-(1,3-oxazol-2-yl)-2,2,4-trioxothieno[2,3-c][1,2,6]thiadiazin-3-yl]-2-methylpropanoic acid;1-[(2R)-2-(2-methoxyphenyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one;1-[(2S)-2-(3-methoxy-2-pyridinyl)-2-propan-2-yloxyethyl]-5-methyl-3-(2-methyl-3-oxobutan-2-yl)-6-(1,3-oxazol-2-yl)-2,2-dioxothieno[2,3-c][1,2,6]thiadiazin-4-one is sourced from PubChem (CID 158309324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).