(E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide

C115H95Cl4N27O9 — CID 159271337

IUPAC(E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide
SMILESCC(=O)c1c[nH]c2ccc(CC(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)cc12.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(C2=NN=CC2)cc1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc2[nH]ccc2c1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Cc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C30H25ClN6O3.C29H24ClN7O2.C28H23ClN8O2.C28H23ClN6O2/c1-19(38)25-17-32-26-10-7-21(13-24(25)26)15-29(39)27(14-20-5-3-2-4-6-20)34-30(40)12-8-22-16-23(31)9-11-28(22)37-18-33-35-36-37;30-24-11-12-27(37-19-32-35-36-37)23(18-24)10-13-29(39)33-26(16-20-4-2-1-3-5-20)28(38)17-21-6-8-22(9-7-21)25-14-15-31-34-25;29-23-10-11-25(37-18-32-35-36-37)21(16-23)9-12-27(39)33-24(14-19-5-2-1-3-6-19)26(38)15-20-7-4-8-22(13-20)28-30-17-31-34-28;29-23-8-10-26(35-18-31-33-34-35)22(17-23)7-11-28(37)32-25(15-19-4-2-1-3-5-19)27(36)16-20-6-9-24-21(14-20)12-13-30-24/h2-13,16-18,27,32H,14-15H2,1H3,(H,34,40);1-13,15,18-19,26H,14,16-17H2,(H,33,39);1-13,16-18,24H,14-15H2,(H,33,39)(H,30,31,34);1-14,17-18,25,30H,15-16H2,(H,32,37)/b12-8+;13-10+;12-9+;11-7+/t27-;26-;24-;25-/m0000/s1
InChIKeyKXTHZVGCQROGCV-QDOXMPNPSA-N
MW2141.02 g/mol
LogP16.60
Rot. Bonds39

About (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide

(E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide (PubChem CID 159271337) has the molecular formula C115H95Cl4N27O9 and a molecular weight of 2141.02 g/mol. Its IUPAC name is (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide
PubChem CID159271337
Molecular FormulaC115H95Cl4N27O9
Molecular Weight2141.02 g/mol
Exact Mass2137.66
IUPAC Name(E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide
SMILESCC(=O)c1c[nH]c2ccc(CC(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)cc12.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(C2=NN=CC2)cc1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc2[nH]ccc2c1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Cc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C30H25ClN6O3.C29H24ClN7O2.C28H23ClN8O2.C28H23ClN6O2/c1-19(38)25-17-32-26-10-7-21(13-24(25)26)15-29(39)27(14-20-5-3-2-4-6-20)34-30(40)12-8-22-16-23(31)9-11-28(22)37-18-33-35-36-37;30-24-11-12-27(37-19-32-35-36-37)23(18-24)10-13-29(39)33-26(16-20-4-2-1-3-5-20)28(38)17-21-6-8-22(9-7-21)25-14-15-31-34-25;29-23-10-11-25(37-18-32-35-36-37)21(16-23)9-12-27(39)33-24(14-19-5-2-1-3-6-19)26(38)15-20-7-4-8-22(13-20)28-30-17-31-34-28;29-23-8-10-26(35-18-31-33-34-35)22(17-23)7-11-28(37)32-25(15-19-4-2-1-3-5-19)27(36)16-20-6-9-24-21(14-20)12-13-30-24/h2-13,16-18,27,32H,14-15H2,1H3,(H,34,40);1-13,15,18-19,26H,14,16-17H2,(H,33,39);1-13,16-18,24H,14-15H2,(H,33,39)(H,30,31,34);1-14,17-18,25,30H,15-16H2,(H,32,37)/b12-8+;13-10+;12-9+;11-7+/t27-;26-;24-;25-/m0000/s1
InChIKeyKXTHZVGCQROGCV-QDOXMPNPSA-N
XLogP16.60
TPSA474.02 Ų
H-Bond Donors7
H-Bond Acceptors29
Rotatable Bonds39
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002141.02
LogP ≤ 516.60
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide with MolForge

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Related Compounds

(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 159271338
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-1-(4-fluorophenyl)-3-oxo-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide
CID 159766479
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-(4-phenylphenyl)butan-2-yl]prop-2-enamide
CID 158702176
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-4-[4-(2-oxopropyl)phenyl]-1-phenylbutan-2-yl]prop-2-enamide
CID 158128543
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2R)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 162098208
(E)-N-[(2S)-4-[4-(4-acetylpiperazin-1-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 160895726
(2S)-2-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-N-[4-(1H-imidazol-2-yl)phenyl]-3-phenylpropanamide
CID 127029802
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-[4-(1-methylidene-1-oxo-1,4-thiazinan-4-yl)phenyl]-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 160686051
(E)-N-[(2S)-4-(4-acetylphenyl)-1-(1,1-dioxothian-4-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 160507278
(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-[4-[4-[ethoxy(methyl)phosphoryl]butanoyl]phenyl]-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 159800586
(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(4-methylphenyl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide
CID 160558247
(2S)-2-[3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoylamino]-N-[(3R)-2-oxoazepan-3-yl]-3-phenylpropanamide
CID 90809384

Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide?
The IUPAC name of (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide (CID 159271337) is (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide is CC(=O)c1c[nH]c2ccc(CC(=O)[C@H](Cc3ccccc3)NC(=O)/C=C/c3cc(Cl)ccc3-n3cnnn3)cc12.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc(C2=NN=CC2)cc1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Cc1ccc2[nH]ccc2c1.O=C(/C=C/c1cc(Cl)ccc1-n1cnnn1)N[C@@H](Cc1ccccc1)C(=O)Cc1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide?
The InChIKey is KXTHZVGCQROGCV-QDOXMPNPSA-N. The full InChI is InChI=1S/C30H25ClN6O3.C29H24ClN7O2.C28H23ClN8O2.C28H23ClN6O2/c1-19(38)25-17-32-26-10-7-21(13-24(25)26)15-29(39)27(14-20-5-3-2-4-6-20)34-30(40)12-8-22-16-23(31)9-11-28(22)37-18-33-35-36-37;30-24-11-12-27(37-19-32-35-36-37)23(18-24)10-13-29(39)33-26(16-20-4-2-1-3-5-20)28(38)17-21-6-8-22(9-7-21)25-14-15-31-34-25;29-23-10-11-25(37-18-32-35-36-37)21(16-23)9-12-27(39)33-24(14-19-5-2-1-3-6-19)26(38)15-20-7-4-8-22(13-20)28-30-17-31-34-28;29-23-8-10-26(35-18-31-33-34-35)22(17-23)7-11-28(37)32-25(15-19-4-2-1-3-5-19)27(36)16-20-6-9-24-21(14-20)12-13-30-24/h2-13,16-18,27,32H,14-15H2,1H3,(H,34,40);1-13,15,18-19,26H,14,16-17H2,(H,33,39);1-13,16-18,24H,14-15H2,(H,33,39)(H,30,31,34);1-14,17-18,25,30H,15-16H2,(H,32,37)/b12-8+;13-10+;12-9+;11-7+/t27-;26-;24-;25-/m0000/s1.
What are the key properties of (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide?
(E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide has a molecular weight of 2141.02 g/mol, XLogP of 16.60, 39 rotatable bonds, 7 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-4-(3-acetyl-1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-4-(1H-indol-5-yl)-3-oxo-1-phenylbutan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[4-(4H-pyrazol-3-yl)phenyl]butan-2-yl]prop-2-enamide;(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]-N-[(2S)-3-oxo-1-phenyl-4-[3-(1H-1,2,4-triazol-5-yl)phenyl]butan-2-yl]prop-2-enamide is sourced from PubChem (CID 159271337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).