(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate

C112H110Cl4F2N32O16 — CID 159962946

IUPAC(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate
SMILESCC(=O)c1ccc(CC(=O)[C@H](Cc2cc(C)n(C)n2)NC(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)nc1.CCn1ccc(C[C@H](NC(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)C(=O)Cc2ccc(NC(=O)OCCC(C)=O)cc2)n1.CCn1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Cc2ccc(C(C)=O)cn2)n1.CCn1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Cc2ccc(NC(=O)OCCC(C)=O)cc2)n1
InChIInChI=1S/C30H30ClFN8O5.C30H31ClN8O5.C26H24ClFN8O3.C26H25ClN8O3/c1-3-39-14-12-22(36-39)17-25(27(42)16-20-4-6-21(7-5-20)34-30(44)45-15-13-19(2)41)35-28(43)11-8-23-26(40-18-33-37-38-40)10-9-24(31)29(23)32;1-3-38-14-12-25(35-38)18-26(28(41)16-21-4-8-24(9-5-21)33-30(43)44-15-13-20(2)40)34-29(42)11-6-22-17-23(31)7-10-27(22)39-19-32-36-37-39;1-15-10-19(32-35(15)3)11-22(24(38)12-18-5-4-17(13-29-18)16(2)37)31-25(39)9-6-20-23(36-14-30-33-34-36)8-7-21(27)26(20)28;1-3-34-11-10-22(31-34)13-23(25(37)14-21-7-4-19(15-28-21)17(2)36)30-26(38)9-5-18-12-20(27)6-8-24(18)35-16-29-32-33-35/h4-12,14,18,25H,3,13,15-17H2,1-2H3,(H,34,44)(H,35,43);4-12,14,17,19,26H,3,13,15-16,18H2,1-2H3,(H,33,43)(H,34,42);4-10,13-14,22H,11-12H2,1-3H3,(H,31,39);4-12,15-16,23H,3,13-14H2,1-2H3,(H,30,38)/b11-8+;11-6+;9-6+;9-5+/t25-;26-;22-;23-/m0000/s1
InChIKeyODOISEDUGGXAAA-OWNDXTEKSA-N
MW2340.13 g/mol
LogP12.69
Rot. Bonds49

About (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate

(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate (PubChem CID 159962946) has the molecular formula C112H110Cl4F2N32O16 and a molecular weight of 2340.13 g/mol. Its IUPAC name is (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate.

Molecular Properties

Compound Name(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate
PubChem CID159962946
Molecular FormulaC112H110Cl4F2N32O16
Molecular Weight2340.13 g/mol
Exact Mass2336.75
IUPAC Name(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate
SMILESCC(=O)c1ccc(CC(=O)[C@H](Cc2cc(C)n(C)n2)NC(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)nc1.CCn1ccc(C[C@H](NC(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)C(=O)Cc2ccc(NC(=O)OCCC(C)=O)cc2)n1.CCn1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Cc2ccc(C(C)=O)cn2)n1.CCn1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Cc2ccc(NC(=O)OCCC(C)=O)cc2)n1
InChIInChI=1S/C30H30ClFN8O5.C30H31ClN8O5.C26H24ClFN8O3.C26H25ClN8O3/c1-3-39-14-12-22(36-39)17-25(27(42)16-20-4-6-21(7-5-20)34-30(44)45-15-13-19(2)41)35-28(43)11-8-23-26(40-18-33-37-38-40)10-9-24(31)29(23)32;1-3-38-14-12-25(35-38)18-26(28(41)16-21-4-8-24(9-5-21)33-30(43)44-15-13-20(2)40)34-29(42)11-6-22-17-23(31)7-10-27(22)39-19-32-36-37-39;1-15-10-19(32-35(15)3)11-22(24(38)12-18-5-4-17(13-29-18)16(2)37)31-25(39)9-6-20-23(36-14-30-33-34-36)8-7-21(27)26(20)28;1-3-34-11-10-22(31-34)13-23(25(37)14-21-7-4-19(15-28-21)17(2)36)30-26(38)9-5-18-12-20(27)6-8-24(18)35-16-29-32-33-35/h4-12,14,18,25H,3,13,15-17H2,1-2H3,(H,34,44)(H,35,43);4-12,14,17,19,26H,3,13,15-16,18H2,1-2H3,(H,33,43)(H,34,42);4-10,13-14,22H,11-12H2,1-3H3,(H,31,39);4-12,15-16,23H,3,13-14H2,1-2H3,(H,30,38)/b11-8+;11-6+;9-6+;9-5+/t25-;26-;22-;23-/m0000/s1
InChIKeyODOISEDUGGXAAA-OWNDXTEKSA-N
XLogP12.69
TPSA601.08 Ų
H-Bond Donors6
H-Bond Acceptors42
Rotatable Bonds49
Heavy Atoms166
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002340.13
LogP ≤ 512.69
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate?
The IUPAC name of (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate (CID 159962946) is (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate.
What is the SMILES notation for (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate?
The canonical SMILES for (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate is CC(=O)c1ccc(CC(=O)[C@H](Cc2cc(C)n(C)n2)NC(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)nc1.CCn1ccc(C[C@H](NC(=O)/C=C/c2c(-n3cnnn3)ccc(Cl)c2F)C(=O)Cc2ccc(NC(=O)OCCC(C)=O)cc2)n1.CCn1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Cc2ccc(C(C)=O)cn2)n1.CCn1ccc(C[C@H](NC(=O)/C=C/c2cc(Cl)ccc2-n2cnnn2)C(=O)Cc2ccc(NC(=O)OCCC(C)=O)cc2)n1.
What is the InChIKey of (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate?
The InChIKey is ODOISEDUGGXAAA-OWNDXTEKSA-N. The full InChI is InChI=1S/C30H30ClFN8O5.C30H31ClN8O5.C26H24ClFN8O3.C26H25ClN8O3/c1-3-39-14-12-22(36-39)17-25(27(42)16-20-4-6-21(7-5-20)34-30(44)45-15-13-19(2)41)35-28(43)11-8-23-26(40-18-33-37-38-40)10-9-24(31)29(23)32;1-3-38-14-12-25(35-38)18-26(28(41)16-21-4-8-24(9-5-21)33-30(43)44-15-13-20(2)40)34-29(42)11-6-22-17-23(31)7-10-27(22)39-19-32-36-37-39;1-15-10-19(32-35(15)3)11-22(24(38)12-18-5-4-17(13-29-18)16(2)37)31-25(39)9-6-20-23(36-14-30-33-34-36)8-7-21(27)26(20)28;1-3-34-11-10-22(31-34)13-23(25(37)14-21-7-4-19(15-28-21)17(2)36)30-26(38)9-5-18-12-20(27)6-8-24(18)35-16-29-32-33-35/h4-12,14,18,25H,3,13,15-17H2,1-2H3,(H,34,44)(H,35,43);4-12,14,17,19,26H,3,13,15-16,18H2,1-2H3,(H,33,43)(H,34,42);4-10,13-14,22H,11-12H2,1-3H3,(H,31,39);4-12,15-16,23H,3,13-14H2,1-2H3,(H,30,38)/b11-8+;11-6+;9-6+;9-5+/t25-;26-;22-;23-/m0000/s1.
What are the key properties of (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate?
(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate has a molecular weight of 2340.13 g/mol, XLogP of 12.69, 49 rotatable bonds, 6 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1,5-dimethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enamide;(E)-N-[(2S)-4-(5-acetyl-2-pyridinyl)-1-(1-ethylpyrazol-3-yl)-3-oxobutan-2-yl]-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enamide;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[3-chloro-2-fluoro-6-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate;3-oxobutyl N-[4-[(3S)-3-[[(E)-3-[5-chloro-2-(tetrazol-1-yl)phenyl]prop-2-enoyl]amino]-4-(1-ethylpyrazol-3-yl)-2-oxobutyl]phenyl]carbamate is sourced from PubChem (CID 159962946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).