(4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide

C107H105N17O6S2 — CID 162155013

IUPAC(4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
SMILESCCNC(=O)C[C@@H]1N=C(c2ccc(C)cc2)c2cc(-c3cnn(C)c3)ccc2-c2c(C)noc21.CC[C@@H]1N=C(c2ccc(C)cc2)c2cc(-c3cnn(C)c3)ccc2-c2c(C)noc21.Cc1ccc(NC(=O)C[C@@H]2N=C(c3ccc(C)cc3)c3c(sc(C)c3C)-c3c(C)noc32)cc1.Cc1ccc(NC(=O)C[C@@H]2N=C(c3ccc(C)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)cc1
InChIInChI=1S/C28H27N3O2S.C27H27N5O2.C27H27N5OS.C25H24N4O/c1-15-6-10-20(11-7-15)26-24-17(3)19(5)34-28(24)25-18(4)31-33-27(25)22(30-26)14-23(32)29-21-12-8-16(2)9-13-21;1-5-28-24(33)13-23-27-25(17(3)31-34-27)21-11-10-19(20-14-29-32(4)15-20)12-22(21)26(30-23)18-8-6-16(2)7-9-18;1-15-6-10-20(11-7-15)25-24-17(3)18(4)34-27(24)32-19(5)30-31-26(32)22(29-25)14-23(33)28-21-12-8-16(2)9-13-21;1-5-22-25-23(16(3)28-30-25)20-11-10-18(19-13-26-29(4)14-19)12-21(20)24(27-22)17-8-6-15(2)7-9-17/h6-13,22H,14H2,1-5H3,(H,29,32);6-12,14-15,23H,5,13H2,1-4H3,(H,28,33);6-13,22H,14H2,1-5H3,(H,28,33);6-14,22H,5H2,1-4H3/t22-;23-;2*22-/m0000/s1
InChIKeyZLRZIUVKVBXACE-CSGDWRFTSA-N
MW1789.26 g/mol
LogP23.10
Rot. Bonds16

About (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide

(4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide (PubChem CID 162155013) has the molecular formula C107H105N17O6S2 and a molecular weight of 1789.26 g/mol. Its IUPAC name is (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide.

Molecular Properties

Compound Name(4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
PubChem CID162155013
Molecular FormulaC107H105N17O6S2
Molecular Weight1789.26 g/mol
Exact Mass1787.79
IUPAC Name(4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide
SMILESCCNC(=O)C[C@@H]1N=C(c2ccc(C)cc2)c2cc(-c3cnn(C)c3)ccc2-c2c(C)noc21.CC[C@@H]1N=C(c2ccc(C)cc2)c2cc(-c3cnn(C)c3)ccc2-c2c(C)noc21.Cc1ccc(NC(=O)C[C@@H]2N=C(c3ccc(C)cc3)c3c(sc(C)c3C)-c3c(C)noc32)cc1.Cc1ccc(NC(=O)C[C@@H]2N=C(c3ccc(C)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)cc1
InChIInChI=1S/C28H27N3O2S.C27H27N5O2.C27H27N5OS.C25H24N4O/c1-15-6-10-20(11-7-15)26-24-17(3)19(5)34-28(24)25-18(4)31-33-27(25)22(30-26)14-23(32)29-21-12-8-16(2)9-13-21;1-5-28-24(33)13-23-27-25(17(3)31-34-27)21-11-10-19(20-14-29-32(4)15-20)12-22(21)26(30-23)18-8-6-16(2)7-9-18;1-15-6-10-20(11-7-15)25-24-17(3)18(4)34-27(24)32-19(5)30-31-26(32)22(29-25)14-23(33)28-21-12-8-16(2)9-13-21;1-5-22-25-23(16(3)28-30-25)20-11-10-18(19-13-26-29(4)14-19)12-21(20)24(27-22)17-8-6-15(2)7-9-17/h6-13,22H,14H2,1-5H3,(H,29,32);6-12,14-15,23H,5,13H2,1-4H3,(H,28,33);6-13,22H,14H2,1-5H3,(H,28,33);6-14,22H,5H2,1-4H3/t22-;23-;2*22-/m0000/s1
InChIKeyZLRZIUVKVBXACE-CSGDWRFTSA-N
XLogP23.10
TPSA281.18 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds16
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001789.26
LogP ≤ 523.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Analyze (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-methylphenyl)acetamide
CID 154688520
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(4-methylphenyl)acetamide;ethane
CID 154688519
2-[6-(4-ethylphenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetic acid
CID 123599247
2-[(4S)-8-(1-tert-butylpyrazol-4-yl)-6-(4-chlorophenyl)-1-methyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]-N-ethylacetamide
CID 126654284
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-[(1E)-1-hydroxyimino-3H-2-benzofuran-5-yl]acetamide
CID 164786020
2-[(4S)-8-(1-tert-butylpyrazol-4-yl)-1-methyl-6-phenyl-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]-N-methylacetamide;carbanide;1-[(9S)-4,13-dimethyl-7-phenyl-1,4,5,8,11,12-hexazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]-3,3-dimethylbutan-2-one;3,3-dimethyl-1-[(9S)-4,5,13-trimethyl-7-phenyl-1,4,8,11,12-pentazatricyclo[8.3.0.02,6]trideca-2,5,7,10,12-pentaen-9-yl]butan-2-one;ethane;N-methyl-2-[(4S)-1-methyl-6-[4-[(2-methylpropan-2-yl)oxy]phenyl]-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetamide;N-methyl-2-[(9S)-4,5,13-trimethyl-7-[4-[(2-methylpropan-2-yl)oxy]phenyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide;yttrium
CID 160941249
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(3-oxo-1H-2-benzothiophen-5-yl)acetamide
CID 155017090
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(5-hydroxy-3-pyridinyl)acetamide
CID 156823826
2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(11-oxatricyclo[6.2.1.02,7]undeca-1,3,5,7,9-pentaen-4-yl)acetamide
CID 155017100
N-[4-[[2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetyl]amino]phenyl]-N'-hydroxyoctanediamide
CID 146035918
2-[(9R)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(2,2-dimethylpropyl)acetamide
CID 126544231
2-[7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]-N-(2-hydroxyethyl)acetamide
CID 19704974

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide?
The IUPAC name of (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide (CID 162155013) is (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide.
What is the SMILES notation for (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide?
The canonical SMILES for (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide is CCNC(=O)C[C@@H]1N=C(c2ccc(C)cc2)c2cc(-c3cnn(C)c3)ccc2-c2c(C)noc21.CC[C@@H]1N=C(c2ccc(C)cc2)c2cc(-c3cnn(C)c3)ccc2-c2c(C)noc21.Cc1ccc(NC(=O)C[C@@H]2N=C(c3ccc(C)cc3)c3c(sc(C)c3C)-c3c(C)noc32)cc1.Cc1ccc(NC(=O)C[C@@H]2N=C(c3ccc(C)cc3)c3c(sc(C)c3C)-n3c(C)nnc32)cc1.
What is the InChIKey of (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide?
The InChIKey is ZLRZIUVKVBXACE-CSGDWRFTSA-N. The full InChI is InChI=1S/C28H27N3O2S.C27H27N5O2.C27H27N5OS.C25H24N4O/c1-15-6-10-20(11-7-15)26-24-17(3)19(5)34-28(24)25-18(4)31-33-27(25)22(30-26)14-23(32)29-21-12-8-16(2)9-13-21;1-5-28-24(33)13-23-27-25(17(3)31-34-27)21-11-10-19(20-14-29-32(4)15-20)12-22(21)26(30-23)18-8-6-16(2)7-9-18;1-15-6-10-20(11-7-15)25-24-17(3)18(4)34-27(24)32-19(5)30-31-26(32)22(29-25)14-23(33)28-21-12-8-16(2)9-13-21;1-5-22-25-23(16(3)28-30-25)20-11-10-18(19-13-26-29(4)14-19)12-21(20)24(27-22)17-8-6-15(2)7-9-17/h6-13,22H,14H2,1-5H3,(H,29,32);6-12,14-15,23H,5,13H2,1-4H3,(H,28,33);6-13,22H,14H2,1-5H3,(H,28,33);6-14,22H,5H2,1-4H3/t22-;23-;2*22-/m0000/s1.
What are the key properties of (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide?
(4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide has a molecular weight of 1789.26 g/mol, XLogP of 23.10, 16 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-ethyl-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepine;N-ethyl-2-[(4S)-1-methyl-6-(4-methylphenyl)-8-(1-methylpyrazol-4-yl)-4H-[1,2]oxazolo[5,4-d][2]benzazepin-4-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-11-oxa-3-thia-8,12-diazatricyclo[8.3.0.02,6]trideca-1(10),2(6),4,7,12-pentaen-9-yl]acetamide;N-(4-methylphenyl)-2-[(9S)-4,5,13-trimethyl-7-(4-methylphenyl)-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaen-9-yl]acetamide is sourced from PubChem (CID 162155013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).