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Chemical ID: 7712921

COc1cccc(c1)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccccc6

Chemical ID:

7712921

Name [?]:

None

SMILES [?]:

COc1cccc(c1)N=c2c(cc3cc4c5c(c3o2)CCCN5CCC4)C(=O)Nc6ccccc6

InChi [?]:

InChI=1/C29H27N3O3/c1-34-23-12-5-11-22(18-23)31-29-25(28(33)30-21-9-3-2-4-10-21)17-20-16-19-8-6-14-32-15-7-13-24(26(19)32)27(20)35-29/h2-5,9-12,16-18H,6-8,13-15H2,1H3,(H,30,33)

InChi Info:

AuxInfo=1/1/N:1,33,32,34,5,25,21,26,31,35,6,4,20,24,22,14,12,8,15,13,30,7,3,17,11,16,18,27,10,29,9,23,28,2,19/E:(3,4)(9,10)/rA:35cCOCCCCCCNCCCCCCCCCOCCCNCCCCONCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;w9;s10;d11;s12;s13;d14;s15;d16;d13s17;s10s18;s17;s20;s21;s16s22;s23;s24;s15s25;s11;d27;s27;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₇N₃O₃
All Atoms:	62
Heavy Atoms:	35
Chiral Atoms:	None

ZAP Information [?]

Total:	10.6518
Area:	624.037
Solvation:	-4.94914
Coulombic:	-49.1515

Bond Count [?]

All:	40
Single:	28
Double:	12
Rotors:	5
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	4.85
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