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Chemical ID: 6486680

c1ccc(cc1)C=CC(=O)Oc2ccc(cc2C=NNC(=O)c3ccc(cc3)Cl)Br

Chemical ID:

6486680

Name [?]:

[4-bromo-2-[(4-chlorobenzoyl)aminoiminomethyl]phenyl] 3-phenylprop-2-enoate

SMILES [?]:

c1ccc(cc1)C=CC(=O)Oc2ccc(cc2C=NNC(=O)c3ccc(cc3)Cl)Br

InChi [?]:

InChI=1/C23H16BrClN2O3/c24-19-9-12-21(30-22(28)13-6-16-4-2-1-3-5-16)18(14-19)15-26-27-23(29)17-7-10-20(25)11-8-17/h1-15H,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,7,24,28,14,25,27,13,8,16,18,4,23,17,15,26,12,9,21,30,29,19,20,10,22,11/E:(2,3)(4,5)(7,8)(10,11)/rA:30nCCCCCCCCCOOCCCCCCCNNCOCCCCCCClBr/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s17;w18;s19;s20;d21;s21;s23;d24;s25;d26;d23s27;s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₁₆BrClN₂O₃
All Atoms:	30
Heavy Atoms:	30
Chiral Atoms:	0

ZAP Information [?]

Total:	12.0563
Area:	639.833
Solvation:	-3.93956
Coulombic:	-41.623

Bond Count [?]

All:	32
Single:	19
Double:	13
Rotors:	8
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	483.742
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	7.19
LogP (Chemaxon):	6.37

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value