2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

C186H218ClN25O25S4 — CID 135997739

About 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate (PubChem CID 135997739) has the molecular formula C186H218ClN25O25S4 and a molecular weight of 3367.66 g/mol. Its IUPAC name is 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate.

Molecular Properties

• Compound Name: 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
• PubChem CID: 135997739
• Molecular Formula: C186H218ClN25O25S4
• Molecular Weight: 3367.66 g/mol
• Exact Mass: 3364.51
• IUPAC Name: 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate
• SMILES: [C-]#[N+]c1c(C(=O)OC)c2nc(-c3ccccc3C)[nH]n2c1Sc1cc(C)ccc1OCCCC.[C-]#[N+]c1c(C(=O)OCC(=O)OC)c2[nH]c(-c3cc(NC(=O)C(CCCCCC)Oc4ccc(C)cc4C)ccc3OC)nn2c1Sc1ccccc1NC(=O)c1ccccc1.[C-]#[N+]c1c(C(=O)OCC)c2nc(-c3c(C)cc(C)c(NC(=O)CCCCCCCCCCCCCCCCC)c3C)[nH]n2c1Cl.[C-]#[N+]c1c(C(=O)OCCOCC)c2nc(-c3ccccc3NC(=O)C(CC)Oc3ccc(C)cc3C)[nH]n2c1Sc1cc(C)ccc1OCCCC.[C-]#[N+]c1cn2[nH]c(-c3cc(NS(=O)Oc4cc(C)ccc4CCCCCCCC)ccc3OC)nc2c1C(=O)OC1C(C)CC(C)CC1C
• InChI: InChI=1S/C46H46N6O8S.C40H45N5O6S.C38H49N5O5S.C36H52ClN5O3.C26H26N4O3S/c1-7-8-9-13-19-36(60-34-23-21-28(2)25-29(34)3)44(55)48-31-22-24-35(57-5)32(26-31)41-50-42-39(46(56)59-27-38(53)58-6)40(47-4)45(52(42)51-41)61-37-20-15-14-18-33(37)49-43(54)30-16-11-10-12-17-30;1-8-11-20-49-32-19-17-26(5)24-33(32)52-39-35(41-7)34(40(47)50-22-21-48-10-3)37-43-36(44-45(37)39)28-14-12-13-15-29(28)42-38(46)30(9-2)51-31-18-16-25(4)23-27(31)6;1-8-9-10-11-12-13-14-28-16-15-24(2)21-33(28)48-49(45)42-29-17-18-32(46-7)30(22-29)36-40-37-34(31(39-6)23-43(37)41-36)38(44)47-35-26(4)19-25(3)20-27(35)5;1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(43)39-31-26(4)24-25(3)29(27(31)5)34-40-35-30(36(44)45-8-2)32(38-6)33(37)42(35)41-34;1-6-7-14-33-19-13-12-16(2)15-20(19)34-25-22(27-4)21(26(31)32-5)24-28-23(29-30(24)25)18-11-9-8-10-17(18)3/h10-12,14-18,20-26,36H,7-9,13,19,27H2,1-3,5-6H3,(H,48,55)(H,49,54)(H,50,51);12-19,23-24,30H,8-11,20-22H2,1-6H3,(H,42,46)(H,43,44);15-18,21-23,25-27,35,42H,8-14,19-20H2,1-5,7H3,(H,40,41);24H,7-23H2,1-5H3,(H,39,43)(H,40,41);8-13,15H,6-7,14H2,1-3,5H3,(H,28,29)
• InChIKey: LQHSTWKUYQMVHI-UHFFFAOYSA-N
• XLogP: 45.57
• TPSA: 564.39 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 38
• Rotatable Bonds: 78
• Heavy Atoms: 241
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3367.66
LogP ≤ 5	45.57
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', '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-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The IUPAC name of 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate (CID 135997739) is 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate.

What is the SMILES notation for 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The canonical SMILES for 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate is [C-]#[N+]c1c(C(=O)OC)c2nc(-c3ccccc3C)[nH]n2c1Sc1cc(C)ccc1OCCCC.[C-]#[N+]c1c(C(=O)OCC(=O)OC)c2[nH]c(-c3cc(NC(=O)C(CCCCCC)Oc4ccc(C)cc4C)ccc3OC)nn2c1Sc1ccccc1NC(=O)c1ccccc1.[C-]#[N+]c1c(C(=O)OCC)c2nc(-c3c(C)cc(C)c(NC(=O)CCCCCCCCCCCCCCCCC)c3C)[nH]n2c1Cl.[C-]#[N+]c1c(C(=O)OCCOCC)c2nc(-c3ccccc3NC(=O)C(CC)Oc3ccc(C)cc3C)[nH]n2c1Sc1cc(C)ccc1OCCCC.[C-]#[N+]c1cn2[nH]c(-c3cc(NS(=O)Oc4cc(C)ccc4CCCCCCCC)ccc3OC)nc2c1C(=O)OC1C(C)CC(C)CC1C.

What is the InChIKey of 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

The InChIKey is LQHSTWKUYQMVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H46N6O8S.C40H45N5O6S.C38H49N5O5S.C36H52ClN5O3.C26H26N4O3S/c1-7-8-9-13-19-36(60-34-23-21-28(2)25-29(34)3)44(55)48-31-22-24-35(57-5)32(26-31)41-50-42-39(46(56)59-27-38(53)58-6)40(47-4)45(52(42)51-41)61-37-20-15-14-18-33(37)49-43(54)30-16-11-10-12-17-30;1-8-11-20-49-32-19-17-26(5)24-33(32)52-39-35(41-7)34(40(47)50-22-21-48-10-3)37-43-36(44-45(37)39)28-14-12-13-15-29(28)42-38(46)30(9-2)51-31-18-16-25(4)23-27(31)6;1-8-9-10-11-12-13-14-28-16-15-24(2)21-33(28)48-49(45)42-29-17-18-32(46-7)30(22-29)36-40-37-34(31(39-6)23-43(37)41-36)38(44)47-35-26(4)19-25(3)20-27(35)5;1-7-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-28(43)39-31-26(4)24-25(3)29(27(31)5)34-40-35-30(36(44)45-8-2)32(38-6)33(37)42(35)41-34;1-6-7-14-33-19-13-12-16(2)15-20(19)34-25-22(27-4)21(26(31)32-5)24-28-23(29-30(24)25)18-11-9-8-10-17(18)3/h10-12,14-18,20-26,36H,7-9,13,19,27H2,1-3,5-6H3,(H,48,55)(H,49,54)(H,50,51);12-19,23-24,30H,8-11,20-22H2,1-6H3,(H,42,46)(H,43,44);15-18,21-23,25-27,35,42H,8-14,19-20H2,1-5,7H3,(H,40,41);24H,7-23H2,1-5H3,(H,39,43)(H,40,41);8-13,15H,6-7,14H2,1-3,5H3,(H,28,29).

What are the key properties of 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate?

2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate has a molecular weight of 3367.66 g/mol, XLogP of 45.57, 78 rotatable bonds, 10 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxyethyl 5-(2-butoxy-5-methylphenyl)sulfanyl-2-[2-[2-(2,4-dimethylphenoxy)butanoylamino]phenyl]-6-isocyano-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;ethyl 5-chloro-6-isocyano-2-[2,4,6-trimethyl-3-(octadecanoylamino)phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2-methoxy-2-oxoethyl) 5-(2-benzamidophenyl)sulfanyl-2-[5-[2-(2,4-dimethylphenoxy)octanoylamino]-2-methoxyphenyl]-6-isocyano-1H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;methyl 5-(2-butoxy-5-methylphenyl)sulfanyl-6-isocyano-2-(2-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate;(2,4,6-trimethylcyclohexyl) 6-isocyano-2-[2-methoxy-5-[(5-methyl-2-octylphenoxy)sulfinylamino]phenyl]-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate is sourced from PubChem (CID 135997739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).