4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate

C95H103F8N13O17 — CID 159169231

IUPAC4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate
SMILESCC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C)n(C)c(=O)n(C)c3=O)c3c2OCCO3)C(C)=O)c(F)c1.CC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)c(C)n(C)c3=O)c3c2CCCO3)C(C)=O)c(F)c1.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3ccncc3n(C)c2=O)c2c1CCCO2)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F
InChIInChI=1S/C34H33F4N5O7.C31H36F2N4O4.C30H34F2N4O6/c1-18-13-20(42-10-12-49-17-27(42)34(36,37)38)15-23(35)28(18)30(44)40-24(32(46)48-3)14-19-6-7-25(29-21(19)5-4-11-50-29)43-31(45)22-8-9-39-16-26(22)41(2)33(43)47;1-7-16(2)34-21-14-24(32)27(25(33)15-21)30(39)36-26(19(5)38)13-20-10-11-23(29-22(20)9-8-12-41-29)28-31(40)37(6)18(4)17(3)35-28;1-7-15(2)33-19-13-21(31)25(22(32)14-19)28(38)34-23(17(4)37)12-18-8-9-20(27-26(18)41-10-11-42-27)24-16(3)35(5)30(40)36(6)29(24)39/h6-9,13,15-16,24,27H,4-5,10-12,14,17H2,1-3H3,(H,40,44);10-11,14-16,26,34H,7-9,12-13H2,1-6H3,(H,36,39);8-9,13-15,23,33H,7,10-12H2,1-6H3,(H,34,38)/t24-,27+;16-,26-;15-,23-/m000/s1
InChIKeyKLLWOLYECWAISM-YNMNHLQKSA-N
MW1850.93 g/mol
LogP11.20
Rot. Bonds25

About 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate

4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate (PubChem CID 159169231) has the molecular formula C95H103F8N13O17 and a molecular weight of 1850.93 g/mol. Its IUPAC name is 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate.

Molecular Properties

Compound Name4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate
PubChem CID159169231
Molecular FormulaC95H103F8N13O17
Molecular Weight1850.93 g/mol
Exact Mass1849.75
IUPAC Name4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate
SMILESCC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C)n(C)c(=O)n(C)c3=O)c3c2OCCO3)C(C)=O)c(F)c1.CC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)c(C)n(C)c3=O)c3c2CCCO3)C(C)=O)c(F)c1.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3ccncc3n(C)c2=O)c2c1CCCO2)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F
InChIInChI=1S/C34H33F4N5O7.C31H36F2N4O4.C30H34F2N4O6/c1-18-13-20(42-10-12-49-17-27(42)34(36,37)38)15-23(35)28(18)30(44)40-24(32(46)48-3)14-19-6-7-25(29-21(19)5-4-11-50-29)43-31(45)22-8-9-39-16-26(22)41(2)33(43)47;1-7-16(2)34-21-14-24(32)27(25(33)15-21)30(39)36-26(19(5)38)13-20-10-11-23(29-22(20)9-8-12-41-29)28-31(40)37(6)18(4)17(3)35-28;1-7-15(2)33-19-13-21(31)25(22(32)14-19)28(38)34-23(17(4)37)12-18-8-9-20(27-26(18)41-10-11-42-27)24-16(3)35(5)30(40)36(6)29(24)39/h6-9,13,15-16,24,27H,4-5,10-12,14,17H2,1-3H3,(H,40,44);10-11,14-16,26,34H,7-9,12-13H2,1-6H3,(H,36,39);8-9,13-15,23,33H,7,10-12H2,1-6H3,(H,34,38)/t24-,27+;16-,26-;15-,23-/m000/s1
InChIKeyKLLWOLYECWAISM-YNMNHLQKSA-N
XLogP11.20
TPSA356.97 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds25
Heavy Atoms133
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001850.93
LogP ≤ 511.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate with MolForge

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Launch Full Analysis

Related Compounds

(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoic acid
CID 146565495
2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoic acid
CID 146565497
2-[[2-fluoro-6-methyl-4-[3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoic acid
CID 146565499
(2S)-2-[[2,6-difluoro-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoic acid
CID 146614623
[3-(diethylaminomethyl)phenyl] 2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoate
CID 146614747
methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate
CID 146614893
methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]propanoate
CID 146614921
[3-(diethylaminomethyl)phenyl] (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoate
CID 146614962
(2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[5-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]propanoic acid
CID 146615196
[2-(trifluoromethoxy)phenyl] (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoate
CID 146615338
[2-(trifluoromethoxy)phenyl] 2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoate
CID 146615574
1,1-Difluoroethane;[2-(1,1-difluoroethoxy)phenyl] 2-[(2-fluoro-6-methyl-4-morpholin-4-ylbenzoyl)amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)quinolin-5-yl]propanoate;ethane
CID 153576790

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate?
The IUPAC name of 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate (CID 159169231) is 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate.
What is the SMILES notation for 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate?
The canonical SMILES for 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate is CC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3c(C)n(C)c(=O)n(C)c3=O)c3c2OCCO3)C(C)=O)c(F)c1.CC[C@H](C)Nc1cc(F)c(C(=O)N[C@@H](Cc2ccc(-c3nc(C)c(C)n(C)c3=O)c3c2CCCO3)C(C)=O)c(F)c1.COC(=O)[C@H](Cc1ccc(-n2c(=O)c3ccncc3n(C)c2=O)c2c1CCCO2)NC(=O)c1c(C)cc(N2CCOC[C@@H]2C(F)(F)F)cc1F.
What is the InChIKey of 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate?
The InChIKey is KLLWOLYECWAISM-YNMNHLQKSA-N. The full InChI is InChI=1S/C34H33F4N5O7.C31H36F2N4O4.C30H34F2N4O6/c1-18-13-20(42-10-12-49-17-27(42)34(36,37)38)15-23(35)28(18)30(44)40-24(32(46)48-3)14-19-6-7-25(29-21(19)5-4-11-50-29)43-31(45)22-8-9-39-16-26(22)41(2)33(43)47;1-7-16(2)34-21-14-24(32)27(25(33)15-21)30(39)36-26(19(5)38)13-20-10-11-23(29-22(20)9-8-12-41-29)28-31(40)37(6)18(4)17(3)35-28;1-7-15(2)33-19-13-21(31)25(22(32)14-19)28(38)34-23(17(4)37)12-18-8-9-20(27-26(18)41-10-11-42-27)24-16(3)35(5)30(40)36(6)29(24)39/h6-9,13,15-16,24,27H,4-5,10-12,14,17H2,1-3H3,(H,40,44);10-11,14-16,26,34H,7-9,12-13H2,1-6H3,(H,36,39);8-9,13-15,23,33H,7,10-12H2,1-6H3,(H,34,38)/t24-,27+;16-,26-;15-,23-/m000/s1.
What are the key properties of 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate?
4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate has a molecular weight of 1850.93 g/mol, XLogP of 11.20, 25 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[5-(1,3,4-trimethyl-2,6-dioxopyrimidin-5-yl)-2,3-dihydro-1,4-benzodioxin-8-yl]butan-2-yl]benzamide;4-[[(2S)-butan-2-yl]amino]-2,6-difluoro-N-[(2S)-3-oxo-1-[8-(4,5,6-trimethyl-3-oxopyrazin-2-yl)-3,4-dihydro-2H-chromen-5-yl]butan-2-yl]benzamide;methyl (2S)-2-[[2-fluoro-6-methyl-4-[(3R)-3-(trifluoromethyl)morpholin-4-yl]benzoyl]amino]-3-[8-(1-methyl-2,4-dioxopyrido[3,4-d]pyrimidin-3-yl)-3,4-dihydro-2H-chromen-5-yl]propanoate is sourced from PubChem (CID 159169231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).