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Chemical ID: 7702037

CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3cccc4c3cccc4

Chemical ID:

7702037

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3cccc4c3cccc4

InChi [?]:

InChI=1/C29H25ClN2O5/c1-3-35-27-17-20(11-16-26(27)37-29(34)22-12-14-23(30)15-13-22)18-31-32-28(33)19(2)36-25-10-6-8-21-7-4-5-9-24(21)25/h4-19H,3H2,1-2H3,(H,32,33)

InChi Info:

AuxInfo=1/1/N:1,26,2,36,35,30,37,31,34,29,7,14,18,15,17,8,5,20,25,6,32,13,16,33,28,9,4,23,11,19,21,22,24,12,3,27,10/E:(12,13)(14,15)/rA:37cCCOCCCCCCOCOCCCCCCClCNNCOCCOCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s6;w20;s21;s22;d23;s23;s25;s25;s27;s28;d29;s30;d31;d28s32;s33;d34;s35;s32d36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₂₅ClN₂O₅
All Atoms:	62
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	12.5396
Area:	787.13
Solvation:	-7.13863
Coulombic:	-56.4743

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	11
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.66
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