(2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

C178H229N27O28S — CID 54196651

About (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

(2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate (PubChem CID 54196651) has the molecular formula C178H229N27O28S and a molecular weight of 3227.02 g/mol. Its IUPAC name is (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate.

Molecular Properties

• Compound Name: (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
• PubChem CID: 54196651
• Molecular Formula: C178H229N27O28S
• Molecular Weight: 3227.02 g/mol
• Exact Mass: 3224.70
• IUPAC Name: (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
• SMILES: [C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(C)c(NC(=O)C(CCCCCC)CCCCCCCC)c3)[nH]n2c1OC(=O)N1CCOCC1.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(C)c(NS(=O)Oc4cc(C)ccc4OCCCCCCCC)c3)[nH]n2c1OC(=O)N1CCOCC1.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(C)cc3)[nH]n2c1OC(=O)N(C)CC.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccccc3C)[nH]n2c1OC(=O)N(CCC)CCC.[C-]#[N+]c1c(C(=O)OC2C(C)CCCC2C)c2nc(-c3ccc(C)c(NC(=O)C(C)Oc4ccc(C)cc4C)c3)[nH]n2c1OC=O
• InChI: InChI=1S/C44H64N6O6.C43H56N6O8S.C34H37N5O6.C30H39N5O4.C27H33N5O4/c1-8-10-12-14-15-17-19-33(18-16-13-11-9-2)41(51)46-35-28-34(21-20-30(35)4)39-47-40-36(43(52)55-38-31(5)26-29(3)27-32(38)6)37(45-7)42(50(40)48-39)56-44(53)49-22-24-54-25-23-49;1-8-9-10-11-12-13-20-54-34-17-14-27(2)25-35(34)57-58(52)47-33-26-32(16-15-29(33)4)39-45-40-36(42(50)55-38-30(5)23-28(3)24-31(38)6)37(44-7)41(49(40)46-39)56-43(51)48-18-21-53-22-19-48;1-18-11-14-26(22(5)15-18)44-23(6)32(41)36-25-16-24(13-12-19(25)2)30-37-31-27(28(35-7)33(43-17-40)39(31)38-30)34(42)45-29-20(3)9-8-10-21(29)4;1-8-14-34(15-9-2)30(37)39-28-24(31-7)23(29(36)38-25-20(5)16-18(3)17-21(25)6)27-32-26(33-35(27)28)22-13-11-10-12-19(22)4;1-8-31(7)27(34)36-25-21(28-6)20(26(33)35-22-17(4)13-16(3)14-18(22)5)24-29-23(30-32(24)25)19-11-9-15(2)10-12-19/h20-21,28-29,31-33,38H,8-19,22-27H2,1-6H3,(H,46,51)(H,47,48);14-17,25-26,28,30-31,38,47H,8-13,18-24H2,1-6H3,(H,45,46);11-17,20-21,23,29H,8-10H2,1-6H3,(H,36,41)(H,37,38);10-13,18,20-21,25H,8-9,14-17H2,1-6H3,(H,32,33);9-12,16-18,22H,8,13-14H2,1-5,7H3,(H,29,30)
• InChIKey: PMGZBVCPHJHNPX-UHFFFAOYSA-N
• XLogP: 39.52
• TPSA: 596.66 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 38
• Rotatable Bonds: 56
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3227.02
LogP ≤ 5	39.52
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The IUPAC name of (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate (CID 54196651) is (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate.

What is the SMILES notation for (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The canonical SMILES for (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate is [C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(C)c(NC(=O)C(CCCCCC)CCCCCCCC)c3)[nH]n2c1OC(=O)N1CCOCC1.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(C)c(NS(=O)Oc4cc(C)ccc4OCCCCCCCC)c3)[nH]n2c1OC(=O)N1CCOCC1.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccc(C)cc3)[nH]n2c1OC(=O)N(C)CC.[C-]#[N+]c1c(C(=O)OC2C(C)CC(C)CC2C)c2nc(-c3ccccc3C)[nH]n2c1OC(=O)N(CCC)CCC.[C-]#[N+]c1c(C(=O)OC2C(C)CCCC2C)c2nc(-c3ccc(C)c(NC(=O)C(C)Oc4ccc(C)cc4C)c3)[nH]n2c1OC=O.

What is the InChIKey of (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The InChIKey is PMGZBVCPHJHNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H64N6O6.C43H56N6O8S.C34H37N5O6.C30H39N5O4.C27H33N5O4/c1-8-10-12-14-15-17-19-33(18-16-13-11-9-2)41(51)46-35-28-34(21-20-30(35)4)39-47-40-36(43(52)55-38-31(5)26-29(3)27-32(38)6)37(45-7)42(50(40)48-39)56-44(53)49-22-24-54-25-23-49;1-8-9-10-11-12-13-20-54-34-17-14-27(2)25-35(34)57-58(52)47-33-26-32(16-15-29(33)4)39-45-40-36(42(50)55-38-30(5)23-28(3)24-31(38)6)37(44-7)41(49(40)46-39)56-43(51)48-18-21-53-22-19-48;1-18-11-14-26(22(5)15-18)44-23(6)32(41)36-25-16-24(13-12-19(25)2)30-37-31-27(28(35-7)33(43-17-40)39(31)38-30)34(42)45-29-20(3)9-8-10-21(29)4;1-8-14-34(15-9-2)30(37)39-28-24(31-7)23(29(36)38-25-20(5)16-18(3)17-21(25)6)27-32-26(33-35(27)28)22-13-11-10-12-19(22)4;1-8-31(7)27(34)36-25-21(28-6)20(26(33)35-22-17(4)13-16(3)14-18(22)5)24-29-23(30-32(24)25)19-11-9-15(2)10-12-19/h20-21,28-29,31-33,38H,8-19,22-27H2,1-6H3,(H,46,51)(H,47,48);14-17,25-26,28,30-31,38,47H,8-13,18-24H2,1-6H3,(H,45,46);11-17,20-21,23,29H,8-10H2,1-6H3,(H,36,41)(H,37,38);10-13,18,20-21,25H,8-9,14-17H2,1-6H3,(H,32,33);9-12,16-18,22H,8,13-14H2,1-5,7H3,(H,29,30).

What are the key properties of (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

(2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate has a molecular weight of 3227.02 g/mol, XLogP of 39.52, 56 rotatable bonds, 8 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for (2,6-dimethylcyclohexyl) 2-[3-[2-(2,4-dimethylphenoxy)propanoylamino]-4-methylphenyl]-5-formyloxy-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;[2-[3-(2-hexyldecanoylamino)-4-methylphenyl]-6-isocyano-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;[6-isocyano-2-[4-methyl-3-[(5-methyl-2-octoxyphenoxy)sulfinylamino]phenyl]-7-(2,4,6-trimethylcyclohexyl)oxycarbonyl-3H-pyrrolo[1,2-b][1,2,4]triazol-5-yl] morpholine-4-carboxylate;(2,4,6-trimethylcyclohexyl) 5-(dipropylcarbamoyloxy)-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 5-[ethyl(methyl)carbamoyl]oxy-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate is sourced from PubChem (CID 54196651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).