(2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

C161H185N27O30S7 — CID 91347504

About (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

(2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate (PubChem CID 91347504) has the molecular formula C161H185N27O30S7 and a molecular weight of 3202.88 g/mol. Its IUPAC name is (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate.

Molecular Properties

• Compound Name: (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
• PubChem CID: 91347504
• Molecular Formula: C161H185N27O30S7
• Molecular Weight: 3202.88 g/mol
• Exact Mass: 3200.18
• IUPAC Name: (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
• SMILES: [C-]#[N+]c1cn2[nH]c(-c3cc(NS(=O)Oc4ccccc4C)ccc3OC)nc2c1C(=O)OC1C(C)CC(C)CC1C.[C-]#[N+]c1cn2[nH]c(-c3ccc(C)c(NS(=O)Oc4cc(C)ccc4C)c3)nc2c1C(=O)OC1C(C)CC(C)CC1C.[C-]#[N+]c1cn2[nH]c(-c3ccc(C)c(NS(=O)Oc4cc(C)ccc4OC(C)C(=O)NS(C)(=O)=O)c3)nc2c1C(=O)OC1C(C)CC(C)CC1C.[C-]#[N+]c1cn2[nH]c(-c3ccc(OC)c(NS(=O)Oc4cc(C(C)(C)C)ccc4OCC(=O)NS(C)(=O)=O)c3)nc2c1C(=O)OC1C(C)CCCC1C.[H]N=S(=O)(Oc1cc(C)ccc1CC)c1cccc(-c2nc3c(C(=O)OC4C(C)CC(C)CC4C)c([N+]#[C-])cn3[nH]2)c1
• InChI: InChI=1S/C35H42N6O9S2.C34H40N6O8S2.2C31H35N5O4S.C30H33N5O5S/c1-20-10-9-11-21(2)31(20)49-34(43)30-25(36-6)18-41-33(30)37-32(38-41)22-12-14-26(47-7)24(16-22)39-51(44)50-28-17-23(35(3,4)5)13-15-27(28)48-19-29(42)40-52(8,45)46;1-18-9-12-27(46-23(6)33(41)39-50(8,44)45)28(15-18)48-49(43)38-25-16-24(11-10-20(25)3)31-36-32-29(26(35-7)17-40(32)37-31)34(42)47-30-21(4)13-19(2)14-22(30)5;1-17-8-9-20(4)26(14-17)40-41(38)35-24-15-23(11-10-19(24)3)29-33-30-27(25(32-7)16-36(30)34-29)31(37)39-28-21(5)12-18(2)13-22(28)6;1-7-22-12-11-18(2)15-26(22)40-41(32,38)24-10-8-9-23(16-24)29-34-30-27(25(33-6)17-36(30)35-29)31(37)39-28-20(4)13-19(3)14-21(28)5;1-17-13-19(3)27(20(4)14-17)39-30(36)26-23(31-5)16-35-29(26)32-28(33-35)22-15-21(11-12-25(22)38-6)34-41(37)40-24-10-8-7-9-18(24)2/h12-18,20-21,31,39H,9-11,19H2,1-5,7-8H3,(H,37,38)(H,40,42);9-12,15-17,19,21-23,30,38H,13-14H2,1-6,8H3,(H,36,37)(H,39,41);8-11,14-16,18,21-22,28,35H,12-13H2,1-6H3,(H,33,34);8-12,15-17,19-21,28,32H,7,13-14H2,1-5H3,(H,34,35);7-12,15-17,19-20,27,34H,13-14H2,1-4,6H3,(H,32,33)
• InChIKey: IAHHCBJFSYIPAI-UHFFFAOYSA-N
• XLogP: 32.30
• TPSA: 685.62 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 41
• Rotatable Bonds: 45
• Heavy Atoms: 225
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3202.88
LogP ≤ 5	32.30
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	41

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The IUPAC name of (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate (CID 91347504) is (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate.

What is the SMILES notation for (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The canonical SMILES for (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate is [C-]#[N+]c1cn2[nH]c(-c3cc(NS(=O)Oc4ccccc4C)ccc3OC)nc2c1C(=O)OC1C(C)CC(C)CC1C.[C-]#[N+]c1cn2[nH]c(-c3ccc(C)c(NS(=O)Oc4cc(C)ccc4C)c3)nc2c1C(=O)OC1C(C)CC(C)CC1C.[C-]#[N+]c1cn2[nH]c(-c3ccc(C)c(NS(=O)Oc4cc(C)ccc4OC(C)C(=O)NS(C)(=O)=O)c3)nc2c1C(=O)OC1C(C)CC(C)CC1C.[C-]#[N+]c1cn2[nH]c(-c3ccc(OC)c(NS(=O)Oc4cc(C(C)(C)C)ccc4OCC(=O)NS(C)(=O)=O)c3)nc2c1C(=O)OC1C(C)CCCC1C.[H]N=S(=O)(Oc1cc(C)ccc1CC)c1cccc(-c2nc3c(C(=O)OC4C(C)CC(C)CC4C)c([N+]#[C-])cn3[nH]2)c1.

What is the InChIKey of (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The InChIKey is IAHHCBJFSYIPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N6O9S2.C34H40N6O8S2.2C31H35N5O4S.C30H33N5O5S/c1-20-10-9-11-21(2)31(20)49-34(43)30-25(36-6)18-41-33(30)37-32(38-41)22-12-14-26(47-7)24(16-22)39-51(44)50-28-17-23(35(3,4)5)13-15-27(28)48-19-29(42)40-52(8,45)46;1-18-9-12-27(46-23(6)33(41)39-50(8,44)45)28(15-18)48-49(43)38-25-16-24(11-10-20(25)3)31-36-32-29(26(35-7)17-40(32)37-31)34(42)47-30-21(4)13-19(2)14-22(30)5;1-17-8-9-20(4)26(14-17)40-41(38)35-24-15-23(11-10-19(24)3)29-33-30-27(25(32-7)16-36(30)34-29)31(37)39-28-21(5)12-18(2)13-22(28)6;1-7-22-12-11-18(2)15-26(22)40-41(32,38)24-10-8-9-23(16-24)29-34-30-27(25(33-6)17-36(30)35-29)31(37)39-28-20(4)13-19(3)14-21(28)5;1-17-13-19(3)27(20(4)14-17)39-30(36)26-23(31-5)16-35-29(26)32-28(33-35)22-15-21(11-12-25(22)38-6)34-41(37)40-24-10-8-7-9-18(24)2/h12-18,20-21,31,39H,9-11,19H2,1-5,7-8H3,(H,37,38)(H,40,42);9-12,15-17,19,21-23,30,38H,13-14H2,1-6,8H3,(H,36,37)(H,39,41);8-11,14-16,18,21-22,28,35H,12-13H2,1-6H3,(H,33,34);8-12,15-17,19-21,28,32H,7,13-14H2,1-5H3,(H,34,35);7-12,15-17,19-20,27,34H,13-14H2,1-4,6H3,(H,32,33).

What are the key properties of (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

(2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate has a molecular weight of 3202.88 g/mol, XLogP of 32.30, 45 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethylcyclohexyl) 2-[3-[[5-tert-butyl-2-[2-(methanesulfonamido)-2-oxoethoxy]phenoxy]sulfinylamino]-4-methoxyphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2,5-dimethylphenoxy)sulfinylamino]-4-methylphenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 2-[3-[(2-ethyl-5-methylphenoxy)sulfonimidoyl]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[3-[[2-[1-(methanesulfonamido)-1-oxopropan-2-yl]oxy-5-methylphenoxy]sulfinylamino]-4-methylphenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(2-methylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate is sourced from PubChem (CID 91347504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).