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Chemical ID: 7703268

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccc(cc3)c4ccccc4

Chemical ID:

7703268

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)C(C)Oc3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C31H29ClN2O4/c1-3-36-30-19-24(11-18-29(30)37-21-23-9-14-27(32)15-10-23)20-33-34-31(35)22(2)38-28-16-12-26(13-17-28)25-7-5-4-6-8-25/h4-20,22H,3,21H2,1-2H3,(H,34,35)

InChi Info:

AuxInfo=1/1/N:1,25,2,36,35,37,34,38,13,17,7,29,31,14,16,28,32,8,5,19,11,24,12,6,33,30,15,27,9,4,22,18,20,21,23,3,10,26/E:(5,6)(7,8)(9,10)(12,13)(14,15)(16,17)/rA:38cCCOCCCCCCOCCCCCCCClCNNCOCCOCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;s11;s12;d13;s14;d15;d12s16;s15;s6;w19;s20;s21;d22;s22;s24;s24;s26;s27;d28;s29;d30;d27s31;s30;s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₁H₂₉ClN₂O₄
All Atoms:	67
Heavy Atoms:	38
Chiral Atoms:	None

ZAP Information [?]

Total:	11.6651
Area:	827.599
Solvation:	-9.02489
Coulombic:	-44.1618

Bond Count [?]

All:	41
Single:	27
Double:	14
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	8.46
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