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Chemical ID: 7614331

CCN(CC)c1ccc2c(c1)Oc3ccc4c(c3C25c6ccccc6C(=O)O5)cccc4NCc7ccccc7

Chemical ID:

7614331

Name [?]:

None

SMILES [?]:

CCN(CC)c1ccc2c(c1)Oc3ccc4c(c3C25c6ccccc6C(=O)O5)cccc4NCc7ccccc7

InChi [?]:

InChI=1/C35H30N2O3/c1-3-37(4-2)24-17-19-29-32(21-24)39-31-20-18-25-26(14-10-16-30(25)36-22-23-11-6-5-7-12-23)33(31)35(29)28-15-9-8-13-27(28)34(38)40-35/h5-21,36H,3-4,22H2,1-2H3

InChi Info:

AuxInfo=1/0/N:1,5,2,4,38,37,39,23,22,30,36,40,24,29,21,31,7,15,8,14,11,34,35,6,16,17,25,20,9,32,13,10,18,26,19,33,3,27,12,28/E:(1,2)(3,4)(6,7)(11,12)/rA:40cCCNCCCCCCCCOCCCCCCCCCCCCCCOOCCCCNCCCCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s10;s12;s13;d14;s15;s16;d13s17;s9s18;s19;s20;d21;s22;d23;d20s24;s25;d26;s19s26;d17;s29;d30;d16s31;s32;s33;s34;s35;d36;s37;d38;d35s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₅H₃₀N₂O₃
All Atoms:	70
Heavy Atoms:	40
Chiral Atoms:	None

ZAP Information [?]

Total:	14.8257
Area:	749.729
Solvation:	-3.91751
Coulombic:	-50.3303

Bond Count [?]

All:	46
Single:	31
Double:	15
Rotors:	6
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	8.32
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

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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