About 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide
6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide (PubChem CID 158483476) has the molecular formula C156H115ClF3N17O7S8
and a molecular weight of 2688.73 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide.
Frequently Asked Questions
What is the IUPAC name of 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide (CID 158483476) is 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide is Cc1ccsc1C1=Nc2cc(C(=O)NCCc3cccnc3)ccc2Sc2ccccc21.O=C(NCCc1cccnc1)c1ccc2c(c1)N=C(c1ccccc1F)c1ccccc1S2.O=C(NCCc1ccncc1)c1ccc2c(c1)N=C(c1ccc(Cl)cc1)c1ccccc1S2.O=C(NCCc1ccncc1)c1ccc2c(c1)N=C(c1cccc(F)c1)c1ccccc1S2.O=C(NCc1ccco1)c1ccc2c(c1)N=C(c1ccccc1F)c1ccccc1S2.O=C(NCc1cccs1)c1ccc2c(c1)N=C(c1ccccn1)c1ccccc1S2.
What is the InChIKey of 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide?
The InChIKey is HHUOLZQYJRBWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20ClN3OS.2C27H20FN3OS.C26H21N3OS2.C25H17FN2O2S.C24H17N3OS2/c28-21-8-5-19(6-9-21)26-22-3-1-2-4-24(22)33-25-10-7-20(17-23(25)31-26)27(32)30-16-13-18-11-14-29-15-12-18;28-22-9-3-1-7-20(22)26-21-8-2-4-10-24(21)33-25-12-11-19(16-23(25)31-26)27(32)30-15-13-18-6-5-14-29-17-18;28-21-5-3-4-19(16-21)26-22-6-1-2-7-24(22)33-25-9-8-20(17-23(25)31-26)27(32)30-15-12-18-10-13-29-14-11-18;1-17-11-14-31-25(17)24-20-6-2-3-7-22(20)32-23-9-8-19(15-21(23)29-24)26(30)28-13-10-18-5-4-12-27-16-18;26-20-9-3-1-7-18(20)24-19-8-2-4-10-22(19)31-23-12-11-16(14-21(23)28-24)25(29)27-15-17-6-5-13-30-17;28-24(26-15-17-6-5-13-29-17)16-10-11-22-20(14-16)27-23(19-8-3-4-12-25-19)18-7-1-2-9-21(18)30-22/h1-12,14-15,17H,13,16H2,(H,30,32);1-12,14,16-17H,13,15H2,(H,30,32);1-11,13-14,16-17H,12,15H2,(H,30,32);2-9,11-12,14-16H,10,13H2,1H3,(H,28,30);1-14H,15H2,(H,27,29);1-14H,15H2,(H,26,28).
What are the key properties of 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide?
6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide has a molecular weight of 2688.73 g/mol, XLogP of 35.74, 28 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(furan-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(2-fluorophenyl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-fluorophenyl)-N-(2-pyridin-4-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-(3-methylthiophen-2-yl)-N-(2-pyridin-3-ylethyl)benzo[b][1,4]benzothiazepine-3-carboxamide;6-pyridin-2-yl-N-(thiophen-2-ylmethyl)benzo[b][1,4]benzothiazepine-3-carboxamide is sourced from PubChem (CID 158483476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).