1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one

C135H147ClFN29O6S3 — CID 158311526

About 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one

1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one (PubChem CID 158311526) has the molecular formula C135H147ClFN29O6S3 and a molecular weight of 2422.51 g/mol. Its IUPAC name is 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one.

Molecular Properties

• Compound Name: 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one
• PubChem CID: 158311526
• Molecular Formula: C135H147ClFN29O6S3
• Molecular Weight: 2422.51 g/mol
• Exact Mass: 2420.09
• IUPAC Name: 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one
• SMILES: Cc1ccc(C2=N[C@@H](CC(=O)C(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cn1.Cc1ncc(C2=N[C@@H](CC(=O)C(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cn1.Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)C(C)(C)C.Cc1nnc2n1-c1ccccc1C(c1ccc(F)cc1)=N[C@H]2CC(=O)C(C)(C)C.Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)C(C)(C)C.Cc1sc2c(c1C)C(c1ccnnc1)=N[C@@H](CC(=O)C(C)(C)C)c1nnc(C)n1-2
• InChI: InChI=1S/C23H23ClN4O.C23H23FN4O.C23H27N5OS.C23H24N4O.C22H26N6OS.C21H24N6OS/c2*1-14-26-27-22-18(13-20(29)23(2,3)4)25-21(15-9-11-16(24)12-10-15)17-7-5-6-8-19(17)28(14)22;1-12-8-9-16(11-24-12)20-19-13(2)14(3)30-22(19)28-15(4)26-27-21(28)17(25-20)10-18(29)23(5,6)7;1-15-25-26-22-18(14-20(28)23(2,3)4)24-21(16-10-6-5-7-11-16)17-12-8-9-13-19(17)27(15)22;1-11-12(2)30-21-18(11)19(15-9-23-13(3)24-10-15)25-16(8-17(29)22(5,6)7)20-27-26-14(4)28(20)21;1-11-12(2)29-20-17(11)18(14-7-8-22-23-10-14)24-15(9-16(28)21(4,5)6)19-26-25-13(3)27(19)20/h2*5-12,18H,13H2,1-4H3;8-9,11,17H,10H2,1-7H3;5-13,18H,14H2,1-4H3;9-10,16H,8H2,1-7H3;7-8,10,15H,9H2,1-6H3/t2*18-;17-;18-;16-;15-/m000000/s1
• InChIKey: GNSSKGYMUJGZHY-PEUDJLNRSA-N
• XLogP: 27.26
• TPSA: 425.29 Ų
• H-Bond Acceptors: 38
• Rotatable Bonds: 18
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2422.51
LogP ≤ 5	27.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one?

The IUPAC name of 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one (CID 158311526) is 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one.

What is the SMILES notation for 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one?

The canonical SMILES for 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one is Cc1ccc(C2=N[C@@H](CC(=O)C(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cn1.Cc1ncc(C2=N[C@@H](CC(=O)C(C)(C)C)c3nnc(C)n3-c3sc(C)c(C)c32)cn1.Cc1nnc2n1-c1ccccc1C(c1ccc(Cl)cc1)=N[C@H]2CC(=O)C(C)(C)C.Cc1nnc2n1-c1ccccc1C(c1ccc(F)cc1)=N[C@H]2CC(=O)C(C)(C)C.Cc1nnc2n1-c1ccccc1C(c1ccccc1)=N[C@H]2CC(=O)C(C)(C)C.Cc1sc2c(c1C)C(c1ccnnc1)=N[C@@H](CC(=O)C(C)(C)C)c1nnc(C)n1-2.

What is the InChIKey of 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one?

The InChIKey is GNSSKGYMUJGZHY-PEUDJLNRSA-N. The full InChI is InChI=1S/C23H23ClN4O.C23H23FN4O.C23H27N5OS.C23H24N4O.C22H26N6OS.C21H24N6OS/c2*1-14-26-27-22-18(13-20(29)23(2,3)4)25-21(15-9-11-16(24)12-10-15)17-7-5-6-8-19(17)28(14)22;1-12-8-9-16(11-24-12)20-19-13(2)14(3)30-22(19)28-15(4)26-27-21(28)17(25-20)10-18(29)23(5,6)7;1-15-25-26-22-18(14-20(28)23(2,3)4)24-21(16-10-6-5-7-11-16)17-12-8-9-13-19(17)27(15)22;1-11-12(2)30-21-18(11)19(15-9-23-13(3)24-10-15)25-16(8-17(29)22(5,6)7)20-27-26-14(4)28(20)21;1-11-12(2)29-20-17(11)18(14-7-8-22-23-10-14)24-15(9-16(28)21(4,5)6)19-26-25-13(3)27(19)20/h2*5-12,18H,13H2,1-4H3;8-9,11,17H,10H2,1-7H3;5-13,18H,14H2,1-4H3;9-10,16H,8H2,1-7H3;7-8,10,15H,9H2,1-6H3/t2*18-;17-;18-;16-;15-/m000000/s1.

What are the key properties of 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one?

1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one has a molecular weight of 2422.51 g/mol, XLogP of 27.26, 18 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(4S)-6-(4-chlorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(4S)-1-methyl-6-phenyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(6-methyl-3-pyridinyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-(2-methylpyrimidin-5-yl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-pyridazin-4-yl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]butan-2-one;1-[(4S)-6-(4-fluorophenyl)-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-3,3-dimethylbutan-2-one is sourced from PubChem (CID 158311526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).