N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate

C192H215F3N30O11 — CID 157383708

About N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate

N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate (PubChem CID 157383708) has the molecular formula C192H215F3N30O11 and a molecular weight of 3176.02 g/mol. Its IUPAC name is N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate.

Molecular Properties

• Compound Name: N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate
• PubChem CID: 157383708
• Molecular Formula: C192H215F3N30O11
• Molecular Weight: 3176.02 g/mol
• Exact Mass: 3173.71
• IUPAC Name: N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate
• SMILES: CC(=O)OCc1cc(N2CCOc3c(C)cc(-c4ccc5nc(C)[nH]c5c4)cc3C2)c(C(C)C)c(C)n1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(NCCCN(C)C)nc(C)c3Cc3ccc(F)cc3)CCO4)ccc2C1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(NCCN(C)C)nc(C)c3Cc3ccc(F)cc3)CCO4)ccc2C1.CCNc1nc(C)c(Cc2ccc(F)cc2)c(N2CCOc3c(C)cc(-c4ccc5c(c4)N=C(C)C5)cc3C2)n1.COC(=O)Cc1c(N2CCOc3c(C)cc(-c4ccc5nc(C)[nH]c5c4)cc3C2)cc(CN(C)C)nc1C.Cc1nc2ccc(-c3cc(C)c4c(c3)CN(c3cc(CO)nc(C)c3C(C)C)CCO4)cc2[nH]1
• InChI: InChI=1S/C36H41FN6O.C35H39FN6O.C33H34FN5O.C30H35N5O3.C30H34N4O3.C28H32N4O2/c1-23-17-29(27-9-10-28-18-24(2)39-33(28)21-27)20-30-22-43(15-16-44-34(23)30)35-32(19-26-7-11-31(37)12-8-26)25(3)40-36(41-35)38-13-6-14-42(4)5;1-22-16-28(26-8-9-27-17-23(2)38-32(27)20-26)19-29-21-42(14-15-43-33(22)29)34-31(18-25-6-10-30(36)11-7-25)24(3)39-35(40-34)37-12-13-41(4)5;1-5-35-33-37-22(4)29(16-23-6-10-28(34)11-7-23)32(38-33)39-12-13-40-31-20(2)14-26(17-27(31)19-39)24-8-9-25-15-21(3)36-30(25)18-24;1-18-11-22(21-7-8-26-27(13-21)33-20(3)32-26)12-23-16-35(9-10-38-30(18)23)28-14-24(17-34(4)5)31-19(2)25(28)15-29(36)37-6;1-17(2)29-19(4)31-25(16-37-21(6)35)14-28(29)34-9-10-36-30-18(3)11-23(12-24(30)15-34)22-7-8-26-27(13-22)33-20(5)32-26;1-16(2)27-18(4)29-23(15-33)13-26(27)32-8-9-34-28-17(3)10-21(11-22(28)14-32)20-6-7-24-25(12-20)31-19(5)30-24/h7-12,17,20-21H,6,13-16,18-19,22H2,1-5H3,(H,38,40,41);6-11,16,19-20H,12-15,17-18,21H2,1-5H3,(H,37,39,40);6-11,14,17-18H,5,12-13,15-16,19H2,1-4H3,(H,35,37,38);7-8,11-14H,9-10,15-17H2,1-6H3,(H,32,33);7-8,11-14,17H,9-10,15-16H2,1-6H3,(H,32,33);6-7,10-13,16,33H,8-9,14-15H2,1-5H3,(H,30,31)
• InChIKey: BLEJHYLJTDLMCY-UHFFFAOYSA-N
• XLogP: 36.81
• TPSA: 432.59 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 38
• Heavy Atoms: 236
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3176.02
LogP ≤ 5	36.81
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate?

The IUPAC name of N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate (CID 157383708) is N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate.

What is the SMILES notation for N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate?

The canonical SMILES for N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate is CC(=O)OCc1cc(N2CCOc3c(C)cc(-c4ccc5nc(C)[nH]c5c4)cc3C2)c(C(C)C)c(C)n1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(NCCCN(C)C)nc(C)c3Cc3ccc(F)cc3)CCO4)ccc2C1.CC1=Nc2cc(-c3cc(C)c4c(c3)CN(c3nc(NCCN(C)C)nc(C)c3Cc3ccc(F)cc3)CCO4)ccc2C1.CCNc1nc(C)c(Cc2ccc(F)cc2)c(N2CCOc3c(C)cc(-c4ccc5c(c4)N=C(C)C5)cc3C2)n1.COC(=O)Cc1c(N2CCOc3c(C)cc(-c4ccc5nc(C)[nH]c5c4)cc3C2)cc(CN(C)C)nc1C.Cc1nc2ccc(-c3cc(C)c4c(c3)CN(c3cc(CO)nc(C)c3C(C)C)CCO4)cc2[nH]1.

What is the InChIKey of N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate?

The InChIKey is BLEJHYLJTDLMCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H41FN6O.C35H39FN6O.C33H34FN5O.C30H35N5O3.C30H34N4O3.C28H32N4O2/c1-23-17-29(27-9-10-28-18-24(2)39-33(28)21-27)20-30-22-43(15-16-44-34(23)30)35-32(19-26-7-11-31(37)12-8-26)25(3)40-36(41-35)38-13-6-14-42(4)5;1-22-16-28(26-8-9-27-17-23(2)38-32(27)20-26)19-29-21-42(14-15-43-33(22)29)34-31(18-25-6-10-30(36)11-7-25)24(3)39-35(40-34)37-12-13-41(4)5;1-5-35-33-37-22(4)29(16-23-6-10-28(34)11-7-23)32(38-33)39-12-13-40-31-20(2)14-26(17-27(31)19-39)24-8-9-25-15-21(3)36-30(25)18-24;1-18-11-22(21-7-8-26-27(13-21)33-20(3)32-26)12-23-16-35(9-10-38-30(18)23)28-14-24(17-34(4)5)31-19(2)25(28)15-29(36)37-6;1-17(2)29-19(4)31-25(16-37-21(6)35)14-28(29)34-9-10-36-30-18(3)11-23(12-24(30)15-34)22-7-8-26-27(13-22)33-20(5)32-26;1-16(2)27-18(4)29-23(15-33)13-26(27)32-8-9-34-28-17(3)10-21(11-22(28)14-32)20-6-7-24-25(12-20)31-19(5)30-24/h7-12,17,20-21H,6,13-16,18-19,22H2,1-5H3,(H,38,40,41);6-11,16,19-20H,12-15,17-18,21H2,1-5H3,(H,37,39,40);6-11,14,17-18H,5,12-13,15-16,19H2,1-4H3,(H,35,37,38);7-8,11-14H,9-10,15-17H2,1-6H3,(H,32,33);7-8,11-14,17H,9-10,15-16H2,1-6H3,(H,32,33);6-7,10-13,16,33H,8-9,14-15H2,1-5H3,(H,30,31).

What are the key properties of N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate?

N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate has a molecular weight of 3176.02 g/mol, XLogP of 36.81, 38 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-amine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine;N-[5-[(4-fluorophenyl)methyl]-4-methyl-6-[9-methyl-7-(2-methyl-3H-indol-6-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine;methyl 2-[6-[(dimethylamino)methyl]-2-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-3-pyridinyl]acetate;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methanol;[6-methyl-4-[9-methyl-7-(2-methyl-3H-benzimidazol-5-yl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-5-propan-2-yl-2-pyridinyl]methyl acetate is sourced from PubChem (CID 157383708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).