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Chemical ID: 4136831

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

Chemical ID:

4136831

Name [?]:

N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyleneamino]-2-(4-isopropylphenoxy)-acetamide

SMILES [?]:

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

InChi [?]:

InChI=1/C27H29ClN2O4/c1-4-32-26-15-21(7-14-25(26)34-17-20-5-10-23(28)11-6-20)16-29-30-27(31)18-33-24-12-8-22(9-13-24)19(2)3/h5-16,19H,4,17-18H2,1-3H3,(H,30,31)

InChi Info:

AuxInfo=1/1/N:1,33,34,2,13,17,7,28,30,14,16,27,31,8,5,19,11,24,32,12,6,29,15,26,9,4,22,18,20,21,23,3,25,10/E:(2,3)(5,6)(8,9)(10,11)(12,13)/rA:34nCCOCCCCCCOCCCCCCCClCNNCOCOCCCCCCCCC/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;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₉ClN₂O₄
All Atoms:	34
Heavy Atoms:	34
Chiral Atoms:	0

ZAP Information [?]

Total:	10.4074
Area:	782.025
Solvation:	-9.14323
Coulombic:	-41.9869

Bond Count [?]

All:	36
Single:	25
Double:	11
Rotors:	12
Chiral:	1
Rigid Segments:	9

Chemical Properties

Molecular Weight:	480.983
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.4
LogP (Chemaxon):	6.34

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

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Chemical Mix	Source	External ID	Descriptor	Value