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Chemical ID: 5270740

COC(=O)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)Br

Chemical ID:

5270740

Name [?]:

None

SMILES [?]:

COC(=O)c1ccc(cc1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2Cc5ccco5)Br

InChi [?]:

InChI=1/C24H16BrNO6/c1-30-24(29)14-6-4-13(5-7-14)20-19-21(27)17-11-15(25)8-9-18(17)32-22(19)23(28)26(20)12-16-3-2-10-31-16/h2-11,20H,12H2,1H3

InChi Info:

AuxInfo=1/0/N:1,29,28,7,9,6,10,18,19,30,16,26,8,5,17,27,15,20,12,11,13,22,23,3,32,25,14,24,4,2,31,21/E:(4,5)(6,7)/rA:32cCOCOCCCCCCCCCOCCCCCCOCCONCCCCCOBr/rB:s1;s2;d3;s3;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;s26;d27;s28;d29;s27s30;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₆BrNO₆
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.6001
Area:	651.795
Solvation:	-5.69474
Coulombic:	-60.671

Bond Count [?]

All:	36
Single:	24
Double:	12
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	494.291
H-Bond Donors:	0
H-Bond Acceptors:	5
XLogP:	3.56
LogP (Chemaxon):	3.72

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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

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