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Chemical ID: 7703894

CC(C(=O)NN=Cc1cccc(c1)OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)c4ccccc4

Chemical ID:

7703894

Name [?]:

None

SMILES [?]:

CC(C(=O)NN=Cc1cccc(c1)OC(=O)c2ccc(cc2)Cl)Oc3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C29H23ClN2O4/c1-20(35-26-16-12-23(13-17-26)22-7-3-2-4-8-22)28(33)32-31-19-21-6-5-9-27(18-21)36-29(34)24-10-14-25(30)15-11-24/h2-20H,1H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,34,33,35,10,9,32,36,11,18,22,27,29,19,21,26,30,13,7,2,8,31,28,17,20,25,12,3,15,23,6,5,4,16,24,14/E:(3,4)(7,8)(10,11)(12,13)(14,15)(16,17)/rA:36cCCCONNCCCCCCCOCOCCCCCCClOCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;s2;s24;s25;d26;s27;d28;d25s29;s28;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₃ClN₂O₄
All Atoms:	59
Heavy Atoms:	36
Chiral Atoms:	None

ZAP Information [?]

Total:	13.4807
Area:	782.375
Solvation:	-6.07863
Coulombic:	-49.8724

Bond Count [?]

All:	39
Single:	24
Double:	15
Rotors:	10
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	8.27
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