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Chemical ID: 7708047

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc(cc3)c4ccccc4

Chemical ID:

7708047

Name [?]:

None

SMILES [?]:

CCOc1cc(ccc1OCc2ccc(cc2)Cl)C=NNC(=O)COc3ccc(cc3)c4ccccc4

InChi [?]:

InChI=1/C30H27ClN2O4/c1-2-35-29-18-23(10-17-28(29)37-20-22-8-13-26(31)14-9-22)19-32-33-30(34)21-36-27-15-11-25(12-16-27)24-6-4-3-5-7-24/h3-19H,2,20-21H2,1H3,(H,33,34)

InChi Info:

AuxInfo=1/1/N:1,2,35,34,36,33,37,13,17,7,28,30,14,16,27,31,8,5,19,11,24,12,6,32,29,15,26,9,4,22,18,20,21,23,3,25,10/E:(4,5)(6,7)(8,9)(11,12)(13,14)(15,16)/rA:37nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCCCCCC/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;s25;s26;d27;s28;d29;d26s30;s29;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₀H₂₇ClN₂O₄
All Atoms:	64
Heavy Atoms:	37
Chiral Atoms:	None

ZAP Information [?]

Total:	11.3149
Area:	831.736
Solvation:	-9.47849
Coulombic:	-43.0909

Bond Count [?]

All:	40
Single:	26
Double:	14
Rotors:	12
Chiral:	None
Rigid Segments:	None

Chemical Properties

Molecular Weight:	None
H-Bond Donors:	None
H-Bond Acceptors:	None
XLogP:	7.93
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