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Chemical ID: 7702702

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)c3ccc(cc3)Br

Chemical ID:

7702702

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)C(=O)Oc2ccc(cc2OC)C=NNC(=O)c3ccc(cc3)Br

InChi [?]:

InChI=1/C24H21BrN2O5/c1-3-31-20-11-7-18(8-12-20)24(29)32-21-13-4-16(14-22(21)30-2)15-26-27-23(28)17-5-9-19(25)10-6-17/h4-15H,3H2,1-2H3,(H,27,28)

InChi Info:

AuxInfo=1/1/N:1,20,2,15,27,31,6,8,28,30,5,9,14,17,21,16,26,7,29,4,13,18,24,10,32,22,23,25,11,19,3,12/E:(5,6)(7,8)(9,10)(11,12)/rA:32nCCOCCCCCCCOOCCCCCCOCCNNCOCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;s19;s16;w21;s22;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁BrN₂O₅
All Atoms:	53
Heavy Atoms:	32
Chiral Atoms:	None

ZAP Information [?]

Total:	11.2739
Area:	717.925
Solvation:	-6.67427
Coulombic:	-54.8876

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	6.28
LogP (Chemaxon):	None

Name Annotations

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

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