3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide

C114H105Br6N27O15S2 — CID 172952808

IUPAC3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide
SMILESCC.COC(=O)C(Nc1ccc2ccccc2c1)C(=O)OC.NNC(=O)C(Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1.NNC(=O)C(Nc1ccc2ccccc2c1)C(=O)NN.Nc1ccc2ccccc2c1.O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)C(Nc1ccc2ccccc2c1)C(=O)NNC(=S)Nc1ccccc1.[N-]=[N+]=Nc1ccc(NC(=S)NNC(=O)C(Nc2ccc3ccccc3c2)C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C27H21Br2N9O3S.C27H22Br2N6O3S.C20H17Br2N5O3.C15H15NO4.C13H15N5O2.C10H9N.C2H6/c28-21-11-15(12-22(29)24(21)39)14-31-35-25(40)23(32-20-6-5-16-3-1-2-4-17(16)13-20)26(41)36-37-27(42)33-18-7-9-19(10-8-18)34-38-30;28-21-12-16(13-22(29)24(21)36)15-30-33-25(37)23(31-20-11-10-17-6-4-5-7-18(17)14-20)26(38)34-35-27(39)32-19-8-2-1-3-9-19;21-15-7-11(8-16(22)18(15)28)10-24-27-20(30)17(19(29)26-23)25-14-6-5-12-3-1-2-4-13(12)9-14;1-19-14(17)13(15(18)20-2)16-12-8-7-10-5-3-4-6-11(10)9-12;14-17-12(19)11(13(20)18-15)16-10-6-5-8-3-1-2-4-9(8)7-10;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-14,23,32,39H,(H,35,40)(H,36,41)(H2,33,37,42);1-15,23,31,36H,(H,33,37)(H,34,38)(H2,32,35,39);1-10,17,25,28H,23H2,(H,26,29)(H,27,30);3-9,13,16H,1-2H3;1-7,11,16H,14-15H2,(H,17,19)(H,18,20);1-7H,11H2;1-2H3/b31-14+;30-15+;24-10+;;;;
InChIKeyOAIAKHXQMARUKS-NRFQYTPLSA-N
MW2636.83 g/mol
LogP18.99
Rot. Bonds29

About 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide

3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide (PubChem CID 172952808) has the molecular formula C114H105Br6N27O15S2 and a molecular weight of 2636.83 g/mol. Its IUPAC name is 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide.

Molecular Properties

Compound Name3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide
PubChem CID172952808
Molecular FormulaC114H105Br6N27O15S2
Molecular Weight2636.83 g/mol
Exact Mass2629.28
IUPAC Name3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide
SMILESCC.COC(=O)C(Nc1ccc2ccccc2c1)C(=O)OC.NNC(=O)C(Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1.NNC(=O)C(Nc1ccc2ccccc2c1)C(=O)NN.Nc1ccc2ccccc2c1.O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)C(Nc1ccc2ccccc2c1)C(=O)NNC(=S)Nc1ccccc1.[N-]=[N+]=Nc1ccc(NC(=S)NNC(=O)C(Nc2ccc3ccccc3c2)C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1
InChIInChI=1S/C27H21Br2N9O3S.C27H22Br2N6O3S.C20H17Br2N5O3.C15H15NO4.C13H15N5O2.C10H9N.C2H6/c28-21-11-15(12-22(29)24(21)39)14-31-35-25(40)23(32-20-6-5-16-3-1-2-4-17(16)13-20)26(41)36-37-27(42)33-18-7-9-19(10-8-18)34-38-30;28-21-12-16(13-22(29)24(21)36)15-30-33-25(37)23(31-20-11-10-17-6-4-5-7-18(17)14-20)26(38)34-35-27(39)32-19-8-2-1-3-9-19;21-15-7-11(8-16(22)18(15)28)10-24-27-20(30)17(19(29)26-23)25-14-6-5-12-3-1-2-4-13(12)9-14;1-19-14(17)13(15(18)20-2)16-12-8-7-10-5-3-4-6-11(10)9-12;14-17-12(19)11(13(20)18-15)16-10-6-5-8-3-1-2-4-9(8)7-10;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-14,23,32,39H,(H,35,40)(H,36,41)(H2,33,37,42);1-15,23,31,36H,(H,33,37)(H,34,38)(H2,32,35,39);1-10,17,25,28H,23H2,(H,26,29)(H,27,30);3-9,13,16H,1-2H3;1-7,11,16H,14-15H2,(H,17,19)(H,18,20);1-7H,11H2;1-2H3/b31-14+;30-15+;24-10+;;;;
InChIKeyOAIAKHXQMARUKS-NRFQYTPLSA-N
XLogP18.99
TPSA644.28 Ų
H-Bond Donors24
H-Bond Acceptors30
Rotatable Bonds29
Heavy Atoms164
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002636.83
LogP ≤ 518.99
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}

Analyze 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide with MolForge

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Related Compounds

N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-(2-methylhydrazinyl)-2-(naphthalen-2-ylamino)-3-oxopropanamide
CID 143711819
2-[(E)-2-[4-[[[3-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-(naphthalen-2-ylamino)-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfophenyl]ethenyl]-5-(methylcarbamothioylamino)benzenesulfonic acid
CID 136641480
2-[(E)-2-[4-[[[3-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-(naphthalen-2-ylamino)-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfophenyl]ethenyl]-5-[2-[2-[[4-[(E)-2-[4-[[[3-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-(naphthalen-2-ylamino)-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]carbamothioylamino]ethoxy]ethylcarbamothioylamino]benzenesulfonic acid
CID 90912167
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 4264339
2-[(E)-2-[4-[[[2-(4-chloroanilino)-3-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfonatophenyl]ethenyl]-5-(methylcarbamothioylamino)benzenesulfonate;chloromethane
CID 136660688
(2S)-N-[(Z)-benzylideneamino]-2-(naphthalen-2-ylamino)propanamide
CID 5390537
N-[(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)acetamide
CID 1268496
N-[(Z)-(3,5-dibromo-2,4-dihydroxyphenyl)methylideneamino]-3-[2-[[4-[2-(2-hydroxyethoxy)ethylcarbamothioylamino]phenyl]carbamothioyl]hydrazinyl]-2-(naphthalen-2-ylmethyl)-3-oxopropanamide
CID 137125573
2-[(E)-2-[4-[[[3-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-(2,4-dichloroanilino)-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfonatophenyl]ethenyl]-5-[2-[2-[[4-[(E)-2-[4-[[[3-[(2Z)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-(2,4-dichloroanilino)-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]carbamothioylamino]ethoxy]ethylcarbamothioylamino]benzenesulfonate
CID 90702093
2-[(E)-2-[4-[[[2-(4-chloroanilino)-3-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfonatophenyl]ethenyl]-5-[2-[2-[[4-[(E)-2-[4-[[[2-(4-chloroanilino)-3-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]carbamothioylamino]ethoxy]ethylcarbamothioylamino]benzenesulfonate;2-[(E)-2-[4-[[[3-[(2E)-2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-(2,4-dichloroanilino)-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfonatophenyl]ethenyl]-5-[2-[2-[[4-[(E)-2-[4-[[[3-[(2E)-2-[(3,5-dibromo-2,4-dihydroxyphenyl)methylidene]hydrazinyl]-2-(2,4-dichloroanilino)-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]carbamothioylamino]ethoxy]ethylcarbamothioylamino]benzenesulfonate;2-[(E)-2-[4-[[[3-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-(2,4-dichloroanilino)-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfonatophenyl]ethenyl]-5-[2-[2-[[4-[(E)-2-[4-[[[3-[(2E)-2-[(3,5-dibromo-4-hydroxyphenyl)methylidene]hydrazinyl]-2-(2,4-dichloroanilino)-3-oxopropanoyl]amino]carbamothioylamino]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]carbamothioylamino]ethoxy]ethylcarbamothioylamino]benzenesulfonate
CID 172916988
N'-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-N-(4-methoxyphenyl)propanediamide
CID 135788590
(2S)-2-(4-bromoanilino)-N-[(Z)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]butanamide
CID 136861871

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide?
The IUPAC name of 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide (CID 172952808) is 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide.
What is the SMILES notation for 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide?
The canonical SMILES for 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide is CC.COC(=O)C(Nc1ccc2ccccc2c1)C(=O)OC.NNC(=O)C(Nc1ccc2ccccc2c1)C(=O)N/N=C/c1cc(Br)c(O)c(Br)c1.NNC(=O)C(Nc1ccc2ccccc2c1)C(=O)NN.Nc1ccc2ccccc2c1.O=C(N/N=C/c1cc(Br)c(O)c(Br)c1)C(Nc1ccc2ccccc2c1)C(=O)NNC(=S)Nc1ccccc1.[N-]=[N+]=Nc1ccc(NC(=S)NNC(=O)C(Nc2ccc3ccccc3c2)C(=O)N/N=C/c2cc(Br)c(O)c(Br)c2)cc1.
What is the InChIKey of 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide?
The InChIKey is OAIAKHXQMARUKS-NRFQYTPLSA-N. The full InChI is InChI=1S/C27H21Br2N9O3S.C27H22Br2N6O3S.C20H17Br2N5O3.C15H15NO4.C13H15N5O2.C10H9N.C2H6/c28-21-11-15(12-22(29)24(21)39)14-31-35-25(40)23(32-20-6-5-16-3-1-2-4-17(16)13-20)26(41)36-37-27(42)33-18-7-9-19(10-8-18)34-38-30;28-21-12-16(13-22(29)24(21)36)15-30-33-25(37)23(31-20-11-10-17-6-4-5-7-18(17)14-20)26(38)34-35-27(39)32-19-8-2-1-3-9-19;21-15-7-11(8-16(22)18(15)28)10-24-27-20(30)17(19(29)26-23)25-14-6-5-12-3-1-2-4-13(12)9-14;1-19-14(17)13(15(18)20-2)16-12-8-7-10-5-3-4-6-11(10)9-12;14-17-12(19)11(13(20)18-15)16-10-6-5-8-3-1-2-4-9(8)7-10;11-10-6-5-8-3-1-2-4-9(8)7-10;1-2/h1-14,23,32,39H,(H,35,40)(H,36,41)(H2,33,37,42);1-15,23,31,36H,(H,33,37)(H,34,38)(H2,32,35,39);1-10,17,25,28H,23H2,(H,26,29)(H,27,30);3-9,13,16H,1-2H3;1-7,11,16H,14-15H2,(H,17,19)(H,18,20);1-7H,11H2;1-2H3/b31-14+;30-15+;24-10+;;;;.
What are the key properties of 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide?
3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide has a molecular weight of 2636.83 g/mol, XLogP of 18.99, 29 rotatable bonds, 24 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(4-azidophenyl)carbamothioyl]hydrazinyl]-N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-3-hydrazinyl-2-(naphthalen-2-ylamino)-3-oxopropanamide;N-[(E)-(3,5-dibromo-4-hydroxyphenyl)methylideneamino]-2-(naphthalen-2-ylamino)-3-oxo-3-[2-(phenylcarbamothioyl)hydrazinyl]propanamide;dimethyl 2-(naphthalen-2-ylamino)propanedioate;ethane;naphthalen-2-amine;2-(naphthalen-2-ylamino)propanedihydrazide is sourced from PubChem (CID 172952808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).