2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide

C136H164N24O33S6 — CID 159501272

IUPAC2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1[C@H](CC1=NN(C(C)(C)C(=O)O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CC1=NN(C(C)(C)C(N)=O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CN1C(=O)N(C(C)(C)C(N)=O)S(=O)(=O)c2c1sc(-c1ncco1)c2C)OC1CCCCC1.COc1ccccc1[C@H](CN1C(=O)N(CC(=O)O)S(=O)(=O)c2c1sc(-c1ncco1)c2C)OC1CCCCC1.COc1ccccc1[C@H](Cc1nn(C(C)(C)C(N)=O)c(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1
InChIInChI=1S/C28H34N6O5.C28H34N4O7S2.C27H34N6O6S.C27H33N5O7S.C26H29N3O8S2/c1-28(2,27(29)36)34-26(35)23-22(31-24(33(23)3)25-30-14-15-38-25)19(32-34)16-21(39-17-10-6-5-7-11-17)18-12-8-9-13-20(18)37-4;1-17-22(24-30-14-15-38-24)40-25-23(17)41(35,36)32(28(2,3)26(29)33)27(34)31(25)16-21(39-18-10-6-5-7-11-18)19-12-8-9-13-20(19)37-4;1-27(2,26(28)34)33-31-19(22-25(40(33,35)36)32(3)23(30-22)24-29-14-15-38-24)16-21(39-17-10-6-5-7-11-17)18-12-8-9-13-20(18)37-4;1-27(2,26(33)34)32-30-19(22-25(40(32,35)36)31(3)23(29-22)24-28-14-15-38-24)16-21(39-17-10-6-5-7-11-17)18-12-8-9-13-20(18)37-4;1-16-22(24-27-12-13-36-24)38-25-23(16)39(33,34)29(15-21(30)31)26(32)28(25)14-20(37-17-8-4-3-5-9-17)18-10-6-7-11-19(18)35-2/h8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3,(H2,29,36);8-9,12-15,18,21H,5-7,10-11,16H2,1-4H3,(H2,29,33);8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3,(H2,28,34);8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3,(H,33,34);6-7,10-13,17,20H,3-5,8-9,14-15H2,1-2H3,(H,30,31)/t4*21-;20-/m00000/s1
InChIKeyLZKJOJPMXLCOFJ-QCDCKPNQSA-N
MW2855.34 g/mol
LogP21.15
Rot. Bonds45

About 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide

2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide (PubChem CID 159501272) has the molecular formula C136H164N24O33S6 and a molecular weight of 2855.34 g/mol. Its IUPAC name is 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide
PubChem CID159501272
Molecular FormulaC136H164N24O33S6
Molecular Weight2855.34 g/mol
Exact Mass2853.02
IUPAC Name2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide
SMILESCOc1ccccc1[C@H](CC1=NN(C(C)(C)C(=O)O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CC1=NN(C(C)(C)C(N)=O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CN1C(=O)N(C(C)(C)C(N)=O)S(=O)(=O)c2c1sc(-c1ncco1)c2C)OC1CCCCC1.COc1ccccc1[C@H](CN1C(=O)N(CC(=O)O)S(=O)(=O)c2c1sc(-c1ncco1)c2C)OC1CCCCC1.COc1ccccc1[C@H](Cc1nn(C(C)(C)C(N)=O)c(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1
InChIInChI=1S/C28H34N6O5.C28H34N4O7S2.C27H34N6O6S.C27H33N5O7S.C26H29N3O8S2/c1-28(2,27(29)36)34-26(35)23-22(31-24(33(23)3)25-30-14-15-38-25)19(32-34)16-21(39-17-10-6-5-7-11-17)18-12-8-9-13-20(18)37-4;1-17-22(24-30-14-15-38-24)40-25-23(17)41(35,36)32(28(2,3)26(29)33)27(34)31(25)16-21(39-18-10-6-5-7-11-18)19-12-8-9-13-20(19)37-4;1-27(2,26(28)34)33-31-19(22-25(40(33,35)36)32(3)23(30-22)24-29-14-15-38-24)16-21(39-17-10-6-5-7-11-17)18-12-8-9-13-20(18)37-4;1-27(2,26(33)34)32-30-19(22-25(40(32,35)36)31(3)23(29-22)24-28-14-15-38-24)16-21(39-17-10-6-5-7-11-17)18-12-8-9-13-20(18)37-4;1-16-22(24-27-12-13-36-24)38-25-23(16)39(33,34)29(15-21(30)31)26(32)28(25)14-20(37-17-8-4-3-5-9-17)18-10-6-7-11-19(18)35-2/h8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3,(H2,29,36);8-9,12-15,18,21H,5-7,10-11,16H2,1-4H3,(H2,29,33);8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3,(H2,28,34);8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3,(H,33,34);6-7,10-13,17,20H,3-5,8-9,14-15H2,1-2H3,(H,30,31)/t4*21-;20-/m00000/s1
InChIKeyLZKJOJPMXLCOFJ-QCDCKPNQSA-N
XLogP21.15
TPSA729.53 Ų
H-Bond Donors5
H-Bond Acceptors48
Rotatable Bonds45
Heavy Atoms199
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002855.34
LogP ≤ 521.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1048

Analyze 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide?
The IUPAC name of 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide (CID 159501272) is 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide is COc1ccccc1[C@H](CC1=NN(C(C)(C)C(=O)O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CC1=NN(C(C)(C)C(N)=O)S(=O)(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.COc1ccccc1[C@H](CN1C(=O)N(C(C)(C)C(N)=O)S(=O)(=O)c2c1sc(-c1ncco1)c2C)OC1CCCCC1.COc1ccccc1[C@H](CN1C(=O)N(CC(=O)O)S(=O)(=O)c2c1sc(-c1ncco1)c2C)OC1CCCCC1.COc1ccccc1[C@H](Cc1nn(C(C)(C)C(N)=O)c(=O)c2c1nc(-c1ncco1)n2C)OC1CCCCC1.
What is the InChIKey of 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide?
The InChIKey is LZKJOJPMXLCOFJ-QCDCKPNQSA-N. The full InChI is InChI=1S/C28H34N6O5.C28H34N4O7S2.C27H34N6O6S.C27H33N5O7S.C26H29N3O8S2/c1-28(2,27(29)36)34-26(35)23-22(31-24(33(23)3)25-30-14-15-38-25)19(32-34)16-21(39-17-10-6-5-7-11-17)18-12-8-9-13-20(18)37-4;1-17-22(24-30-14-15-38-24)40-25-23(17)41(35,36)32(28(2,3)26(29)33)27(34)31(25)16-21(39-18-10-6-5-7-11-18)19-12-8-9-13-20(19)37-4;1-27(2,26(28)34)33-31-19(22-25(40(33,35)36)32(3)23(30-22)24-29-14-15-38-24)16-21(39-17-10-6-5-7-11-17)18-12-8-9-13-20(18)37-4;1-27(2,26(33)34)32-30-19(22-25(40(32,35)36)31(3)23(29-22)24-28-14-15-38-24)16-21(39-17-10-6-5-7-11-17)18-12-8-9-13-20(18)37-4;1-16-22(24-27-12-13-36-24)38-25-23(16)39(33,34)29(15-21(30)31)26(32)28(25)14-20(37-17-8-4-3-5-9-17)18-10-6-7-11-19(18)35-2/h8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3,(H2,29,36);8-9,12-15,18,21H,5-7,10-11,16H2,1-4H3,(H2,29,33);8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3,(H2,28,34);8-9,12-15,17,21H,5-7,10-11,16H2,1-4H3,(H,33,34);6-7,10-13,17,20H,3-5,8-9,14-15H2,1-2H3,(H,30,31)/t4*21-;20-/m00000/s1.
What are the key properties of 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide?
2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide has a molecular weight of 2855.34 g/mol, XLogP of 21.15, 45 rotatable bonds, 5 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanamide;2-[4-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1-dioxoimidazo[4,5-e]thiadiazin-2-yl]-2-methylpropanoic acid;2-[7-[(2S)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxoimidazo[4,5-d]pyridazin-5-yl]-2-methylpropanamide;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]acetic acid;2-[4-[(2R)-2-cyclohexyloxy-2-(2-methoxyphenyl)ethyl]-7-methyl-6-(1,3-oxazol-2-yl)-1,1,3-trioxothieno[2,3-e][1,2,4]thiadiazin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 159501272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).