4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine

C141H157Cl3F3N18O17P3S4 — CID 159037038

IUPAC4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine
SMILESCCOP(=O)(NC(=O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1.CCOP(=O)(Nc1ncnc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc12)c1ccc(C[C@H](CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1.CCO[P@](=O)(NC(=O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C49H53ClF3N6O5PS2.2C46H52ClN6O6PS/c1-2-64-65(60,42-18-14-38(47(32-42)67(61,62)49(51,52)53)30-36(20-21-57-26-28-63-29-27-57)34-66-43-9-4-3-5-10-43)56-48-45-19-17-41(31-46(45)54-35-55-48)59-24-22-58(23-25-59)33-39-8-6-7-11-44(39)37-12-15-40(50)16-13-37;2*1-2-59-60(57,41-20-21-44(45(32-41)53(55)56)48-39(22-23-50-28-30-58-31-29-50)34-61-42-9-4-3-5-10-42)49-46(54)36-14-18-40(19-15-36)52-26-24-51(25-27-52)33-37-8-6-7-11-43(37)35-12-16-38(47)17-13-35/h3-19,31-32,35-36H,2,20-30,33-34H2,1H3,(H,54,55,56,60);2*3-21,32,39,48H,2,22-31,33-34H2,1H3,(H,49,54,57)/t36-,65?;39-,60?;39-,60+/m011/s1
InChIKeyJVOVFJGQEFWUHJ-KOYWOFHCSA-N
MW2760.46 g/mol
LogP27.84
Rot. Bonds54

About 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine (PubChem CID 159037038) has the molecular formula C141H157Cl3F3N18O17P3S4 and a molecular weight of 2760.46 g/mol. Its IUPAC name is 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine.

Molecular Properties

Compound Name4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine
PubChem CID159037038
Molecular FormulaC141H157Cl3F3N18O17P3S4
Molecular Weight2760.46 g/mol
Exact Mass2756.91
IUPAC Name4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine
SMILESCCOP(=O)(NC(=O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1.CCOP(=O)(Nc1ncnc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc12)c1ccc(C[C@H](CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1.CCO[P@](=O)(NC(=O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1
InChIInChI=1S/C49H53ClF3N6O5PS2.2C46H52ClN6O6PS/c1-2-64-65(60,42-18-14-38(47(32-42)67(61,62)49(51,52)53)30-36(20-21-57-26-28-63-29-27-57)34-66-43-9-4-3-5-10-43)56-48-45-19-17-41(31-46(45)54-35-55-48)59-24-22-58(23-25-59)33-39-8-6-7-11-44(39)37-12-15-40(50)16-13-37;2*1-2-59-60(57,41-20-21-44(45(32-41)53(55)56)48-39(22-23-50-28-30-58-31-29-50)34-61-42-9-4-3-5-10-42)49-46(54)36-14-18-40(19-15-36)52-26-24-51(25-27-52)33-37-8-6-7-11-43(37)35-12-16-38(47)17-13-35/h3-19,31-32,35-36H,2,20-30,33-34H2,1H3,(H,54,55,56,60);2*3-21,32,39,48H,2,22-31,33-34H2,1H3,(H,49,54,57)/t36-,65?;39-,60?;39-,60+/m011/s1
InChIKeyJVOVFJGQEFWUHJ-KOYWOFHCSA-N
XLogP27.84
TPSA376.24 Ų
H-Bond Donors5
H-Bond Acceptors33
Rotatable Bonds54
Heavy Atoms189
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002760.46
LogP ≤ 527.84
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine with MolForge

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Related Compounds

4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide
CID 146220694
1-[4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]phenyl]-2-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]ethanone
CID 153286576
1-[(3R)-3-[4-[[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]sulfamoyl]-2-nitroanilino]-4-phenylsulfanylbutyl]piperidine-4-carboxylic acid
CID 87275540
N-[7-[4-[(5-chloro-2-phenylphenyl)methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrobenzenesulfonamide
CID 66909441
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[(1-morpholin-4-yl-3-phenylsulfanylpropan-2-yl)amino]-3-nitrobenzenesulfonamide
CID 67118741
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperidin-1-yl]quinazolin-4-yl]-4-[(4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl)amino]-3-nitrobenzenesulfonamide
CID 67118767
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[(2R)-4-(2,6-dimethylpiperidin-1-yl)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrobenzenesulfonamide
CID 87200544
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[4-[methyl(propan-2-yl)amino]-1-phenylsulfanylbutan-2-yl]amino]-3-nitrobenzenesulfonamide
CID 77215730
N-[7-[4-[(5-methylsulfonyl-2-phenylphenyl)methyl]piperazin-1-yl]quinazolin-4-yl]-4-[(4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl)amino]-3-nitrobenzenesulfonamide
CID 87200562
4-[[4-(3-aminopyrrolidin-1-yl)-1-phenylsulfanylbutan-2-yl]amino]-N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-3-nitrobenzenesulfonamide
CID 67118696
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[4-[[(2R)-4-[4-(diethoxyphosphorylmethyl)piperazin-1-yl]-1-phenylsulfanylbutan-2-yl]amino]-3-(trifluoromethylsulfonyl)phenyl]sulfonylbenzamide
CID 129270533
N-[7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]quinazolin-4-yl]-4-[[4-(diethylamino)-1-phenylsulfanylbutan-2-yl]amino]-3-nitrobenzenesulfonamide
CID 67119078

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine?
The IUPAC name of 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine (CID 159037038) is 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine.
What is the SMILES notation for 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine?
The canonical SMILES for 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine is CCOP(=O)(NC(=O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1.CCOP(=O)(Nc1ncnc2cc(N3CCN(Cc4ccccc4-c4ccc(Cl)cc4)CC3)ccc12)c1ccc(C[C@H](CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1.CCO[P@](=O)(NC(=O)c1ccc(N2CCN(Cc3ccccc3-c3ccc(Cl)cc3)CC2)cc1)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c([N+](=O)[O-])c1.
What is the InChIKey of 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine?
The InChIKey is JVOVFJGQEFWUHJ-KOYWOFHCSA-N. The full InChI is InChI=1S/C49H53ClF3N6O5PS2.2C46H52ClN6O6PS/c1-2-64-65(60,42-18-14-38(47(32-42)67(61,62)49(51,52)53)30-36(20-21-57-26-28-63-29-27-57)34-66-43-9-4-3-5-10-43)56-48-45-19-17-41(31-46(45)54-35-55-48)59-24-22-58(23-25-59)33-39-8-6-7-11-44(39)37-12-15-40(50)16-13-37;2*1-2-59-60(57,41-20-21-44(45(32-41)53(55)56)48-39(22-23-50-28-30-58-31-29-50)34-61-42-9-4-3-5-10-42)49-46(54)36-14-18-40(19-15-36)52-26-24-51(25-27-52)33-37-8-6-7-11-43(37)35-12-16-38(47)17-13-35/h3-19,31-32,35-36H,2,20-30,33-34H2,1H3,(H,54,55,56,60);2*3-21,32,39,48H,2,22-31,33-34H2,1H3,(H,49,54,57)/t36-,65?;39-,60?;39-,60+/m011/s1.
What are the key properties of 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine?
4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine has a molecular weight of 2760.46 g/mol, XLogP of 27.84, 54 rotatable bonds, 5 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;4-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[[(2R)-4-morpholin-4-yl-1-phenylsulfanylbutan-2-yl]amino]-3-nitrophenyl]phosphoryl]benzamide;7-[4-[[2-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]-N-[ethoxy-[4-[(2R)-4-morpholin-4-yl-2-(phenylsulfanylmethyl)butyl]-3-(trifluoromethylsulfonyl)phenyl]phosphoryl]quinazolin-4-amine is sourced from PubChem (CID 159037038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).