C269H280Cl2F8N18O28S — CID 157320750
1-cyclopropylethyl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(4-cyanophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate (PubChem CID 157320750) has the molecular formula C269H280Cl2F8N18O28S and a molecular weight of 4468.25 g/mol. Its IUPAC name is 1-cyclopropylethyl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(4-cyanophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate.
| Compound Name | 1-cyclopropylethyl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(4-cyanophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate |
|---|---|
| PubChem CID | 157320750 |
| Molecular Formula | C269H280Cl2F8N18O28S |
| Molecular Weight | 4468.25 g/mol |
| Exact Mass | 4464.00 |
| IUPAC Name | 1-cyclopropylethyl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(4-chlorophenyl)-1-cyclobutyl-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[3-(4-cyanophenyl)-1-cyclobutyl-6-ethoxyindol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-(4-fluorophenyl)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-ethoxy-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(4-fluorophenyl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-3-(2-methyl-1,3-thiazol-4-yl)-6-(oxan-4-yloxy)indol-2-yl]phenyl]carbamate;1-cyclopropylethyl N-[4-[1-cyclobutyl-6-(oxan-4-yloxy)-3-[4-(trifluoromethyl)phenyl]indol-2-yl]phenyl]carbamate |
| SMILES | CC(OC(=O)Nc1ccc(-c2c(-c3ccc(C(F)(F)F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3ccc(Cl)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CC(OC(=O)Nc1ccc(-c2c(-c3ccc(F)cc3)c3ccc(OC4CCOCC4)cc3n2C2CCC2)cc1)C1CC1.CCOc1ccc2c(-c3ccc(C#N)cc3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(C(F)(F)F)cc3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(Cl)cc3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.CCOc1ccc2c(-c3ccc(F)cc3)c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c2c1.Cc1nc(-c2c(-c3ccc(NC(=O)OC(C)C4CC4)cc3)n(C3CCC3)c3cc(OC4CCOCC4)ccc23)cs1 |
| InChI | InChI=1S/C36H37F3N2O4.C35H37ClN2O4.C35H37FN2O4.C33H33F3N2O3.C33H37N3O4S.C33H33N3O3.C32H33ClN2O3.C32H33FN2O3/c1-22(23-5-6-23)44-35(42)40-27-13-9-25(10-14-27)34-33(24-7-11-26(12-8-24)36(37,38)39)31-16-15-30(45-29-17-19-43-20-18-29)21-32(31)41(34)28-3-2-4-28;2*1-22(23-5-6-23)41-35(39)37-27-13-9-25(10-14-27)34-33(24-7-11-26(36)12-8-24)31-16-15-30(42-29-17-19-40-20-18-29)21-32(31)38(34)28-3-2-4-28;1-3-40-27-17-18-28-29(19-27)38(26-5-4-6-26)31(30(28)22-9-13-24(14-10-22)33(34,35)36)23-11-15-25(16-12-23)37-32(39)41-20(2)21-7-8-21;1-20(22-6-7-22)39-33(37)35-24-10-8-23(9-11-24)32-31(29-19-41-21(2)34-29)28-13-12-27(40-26-14-16-38-17-15-26)18-30(28)36(32)25-4-3-5-25;1-3-38-28-17-18-29-30(19-28)36(27-5-4-6-27)32(31(29)24-9-7-22(20-34)8-10-24)25-13-15-26(16-14-25)35-33(37)39-21(2)23-11-12-23;2*1-3-37-27-17-18-28-29(19-27)35(26-5-4-6-26)31(30(28)22-9-13-24(33)14-10-22)23-11-15-25(16-12-23)34-32(36)38-20(2)21-7-8-21/h7-16,21-23,28-29H,2-6,17-20H2,1H3,(H,40,42);2*7-16,21-23,28-29H,2-6,17-20H2,1H3,(H,37,39);9-21,26H,3-8H2,1-2H3,(H,37,39);8-13,18-20,22,25-26H,3-7,14-17H2,1-2H3,(H,35,37);7-10,13-19,21,23,27H,3-6,11-12H2,1-2H3,(H,35,37);2*9-21,26H,3-8H2,1-2H3,(H,34,36) |
| InChIKey | BEDCTZWFCURKPJ-UHFFFAOYSA-N |
| XLogP | 71.46 |
| TPSA | 493.52 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 39 |
| Rotatable Bonds | 64 |
| Heavy Atoms | 326 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4468.25 |
| LogP ≤ 5 | 71.46 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 39 |