tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

C166H210F3N21O18S11 — CID 157264247

About tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (PubChem CID 157264247) has the molecular formula C166H210F3N21O18S11 and a molecular weight of 3197.37 g/mol. Its IUPAC name is tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• PubChem CID: 157264247
• Molecular Formula: C166H210F3N21O18S11
• Molecular Weight: 3197.37 g/mol
• Exact Mass: 3194.30
• IUPAC Name: tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
• SMILES: CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(-c3ccc(C(F)(F)F)cc3)sc3c2CCCC3)sc2c1CCCC2.CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(-c3ccncc3)sc3c2CCCC3)sc2c1CCCC2.CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(N3CCCC3)sc3c2CCCC3)sc2c1CCCC2.CCOC(=O)c1c(NC(=O)NCc2c(-n3cccc3)sc3c2CCN(C)C3)sc2c1C(C)CCC2.CCOC(=O)c1c(NC(=O)NCc2c(-n3cccc3)sc3c2CCN(CC)C3)sc2c1C(C)CCC2.CN1CCN(c2sc3c(c2CNC(=O)Nc2[nH]c4c(c2C(=O)OC(C)(C)C)CCCC4)CCCC3)CC1
• InChI: InChI=1S/C30H33F3N2O3S2.C28H41N5O3S.C28H33N3O3S2.C27H34N4O3S2.C27H37N3O3S2.C26H32N4O3S2/c1-29(2,3)38-27(36)24-20-9-5-7-11-23(20)40-26(24)35-28(37)34-16-21-19-8-4-6-10-22(19)39-25(21)17-12-14-18(15-13-17)30(31,32)33;1-28(2,3)36-26(34)23-19-10-5-7-11-21(19)30-24(23)31-27(35)29-17-20-18-9-6-8-12-22(18)37-25(20)33-15-13-32(4)14-16-33;1-28(2,3)34-26(32)23-19-9-5-7-11-22(19)36-25(23)31-27(33)30-16-20-18-8-4-6-10-21(18)35-24(20)17-12-14-29-15-13-17;1-4-30-14-11-18-19(25(36-21(18)16-30)31-12-6-7-13-31)15-28-27(33)29-24-23(26(32)34-5-2)22-17(3)9-8-10-20(22)35-24;1-27(2,3)33-25(31)22-18-11-5-7-13-21(18)34-23(22)29-26(32)28-16-19-17-10-4-6-12-20(17)35-24(19)30-14-8-9-15-30;1-4-33-25(31)22-21-16(2)8-7-9-19(21)34-23(22)28-26(32)27-14-18-17-10-13-29(3)15-20(17)35-24(18)30-11-5-6-12-30/h12-15H,4-11,16H2,1-3H3,(H2,34,35,37);30H,5-17H2,1-4H3,(H2,29,31,35);12-15H,4-11,16H2,1-3H3,(H2,30,31,33);6-7,12-13,17H,4-5,8-11,14-16H2,1-3H3,(H2,28,29,33);4-16H2,1-3H3,(H2,28,29,32);5-6,11-12,16H,4,7-10,13-15H2,1-3H3,(H2,27,28,32)
• InChIKey: AXUWBLVIIQTYEI-UHFFFAOYSA-N
• XLogP: 38.19
• TPSA: 459.32 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 37
• Rotatable Bonds: 33
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3197.37
LogP ≤ 5	38.19
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?

The IUPAC name of tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate (CID 157264247) is tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.

What is the SMILES notation for tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?

The canonical SMILES for tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(-c3ccc(C(F)(F)F)cc3)sc3c2CCCC3)sc2c1CCCC2.CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(-c3ccncc3)sc3c2CCCC3)sc2c1CCCC2.CC(C)(C)OC(=O)c1c(NC(=O)NCc2c(N3CCCC3)sc3c2CCCC3)sc2c1CCCC2.CCOC(=O)c1c(NC(=O)NCc2c(-n3cccc3)sc3c2CCN(C)C3)sc2c1C(C)CCC2.CCOC(=O)c1c(NC(=O)NCc2c(-n3cccc3)sc3c2CCN(CC)C3)sc2c1C(C)CCC2.CN1CCN(c2sc3c(c2CNC(=O)Nc2[nH]c4c(c2C(=O)OC(C)(C)C)CCCC4)CCCC3)CC1.

What is the InChIKey of tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?

The InChIKey is AXUWBLVIIQTYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33F3N2O3S2.C28H41N5O3S.C28H33N3O3S2.C27H34N4O3S2.C27H37N3O3S2.C26H32N4O3S2/c1-29(2,3)38-27(36)24-20-9-5-7-11-23(20)40-26(24)35-28(37)34-16-21-19-8-4-6-10-22(19)39-25(21)17-12-14-18(15-13-17)30(31,32)33;1-28(2,3)36-26(34)23-19-10-5-7-11-21(19)30-24(23)31-27(35)29-17-20-18-9-6-8-12-22(18)37-25(20)33-15-13-32(4)14-16-33;1-28(2,3)34-26(32)23-19-9-5-7-11-22(19)36-25(23)31-27(33)30-16-20-18-8-4-6-10-21(18)35-24(20)17-12-14-29-15-13-17;1-4-30-14-11-18-19(25(36-21(18)16-30)31-12-6-7-13-31)15-28-27(33)29-24-23(26(32)34-5-2)22-17(3)9-8-10-20(22)35-24;1-27(2,3)33-25(31)22-18-11-5-7-13-21(18)34-23(22)29-26(32)28-16-19-17-10-4-6-12-20(17)35-24(19)30-14-8-9-15-30;1-4-33-25(31)22-21-16(2)8-7-9-19(21)34-23(22)28-26(32)27-14-18-17-10-13-29(3)15-20(17)35-24(18)30-11-5-6-12-30/h12-15H,4-11,16H2,1-3H3,(H2,34,35,37);30H,5-17H2,1-4H3,(H2,29,31,35);12-15H,4-11,16H2,1-3H3,(H2,30,31,33);6-7,12-13,17H,4-5,8-11,14-16H2,1-3H3,(H2,28,29,33);4-16H2,1-3H3,(H2,28,29,32);5-6,11-12,16H,4,7-10,13-15H2,1-3H3,(H2,27,28,32).

What are the key properties of tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate?

tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate has a molecular weight of 3197.37 g/mol, XLogP of 38.19, 33 rotatable bonds, 13 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[2-(4-methylpiperazin-1-yl)-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1H-indole-3-carboxylate;tert-butyl 2-[(2-pyridin-4-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[(2-pyrrolidin-1-yl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;tert-butyl 2-[[2-[4-(trifluoromethyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 2-[(6-ethyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate;ethyl 4-methyl-2-[(6-methyl-2-pyrrol-1-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl)methylcarbamoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate is sourced from PubChem (CID 157264247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).