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Chemical ID: 7702654

Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3)Br

Chemical ID:

7702654

Name [?]:

None

SMILES [?]:

Cc1ccc(cc1)COc2ccc(cc2)C=NNC(=O)C(C)Oc3ccc(cc3)Br

InChi [?]:

InChI=1/C24H23BrN2O3/c1-17-3-5-20(6-4-17)16-29-22-11-7-19(8-12-22)15-26-27-24(28)18(2)30-23-13-9-21(25)10-14-23/h3-15,18H,16H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,22,3,7,4,6,12,14,26,28,11,15,25,29,16,8,2,21,13,5,27,10,24,19,30,17,18,20,9,23/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30cCCCCCCCCOCCCCCCCNNCOCCOCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s13;w16;s17;s18;d19;s19;s21;s21;s23;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₃BrN₂O₃
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	None

ZAP Information [?]

Total:	10.394
Area:	678.102
Solvation:	-6.55859
Coulombic:	-35.8231

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	9
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.06
LogP (Chemaxon):	None

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