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Chemical ID: 6760326

CCOc1ccc(cc1)C2=CC3c4cc(ccc4OC(N3N2)c5ccc(cc5)C)Br

Chemical ID:

6760326

Name [?]:

None

SMILES [?]:

CCOc1ccc(cc1)C2=CC3c4cc(ccc4OC(N3N2)c5ccc(cc5)C)Br

InChi [?]:

InChI=1/C25H23BrN2O2/c1-3-29-20-11-8-17(9-12-20)22-15-23-21-14-19(26)10-13-24(21)30-25(28(23)27-22)18-6-4-16(2)5-7-18/h4-15,23,25,27H,3H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,29,2,25,27,24,28,6,8,16,5,9,17,14,11,26,7,23,15,4,13,10,12,18,20,30,22,21,3,19/E:(4,5)(6,7)(8,9)(11,12)/rA:30cCCOCCCCCCCCCCCCCCCOCNNCCCCCCCBr/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s12s20;s10s21;s20;s23;d24;s25;d26;d23s27;s26;s15;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₃BrN₂O₂
All Atoms:	53
Heavy Atoms:	30
Chiral Atoms:	3

ZAP Information [?]

Total:	11.9534
Area:	639.783
Solvation:	-4.04122
Coulombic:	-30.1628

Bond Count [?]

All:	34
Single:	24
Double:	10
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	463.366
H-Bond Donors:	1
H-Bond Acceptors:	4
XLogP:	6.97
LogP (Chemaxon):	5.61

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

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Chemical Mix	Source	External ID	Descriptor	Value