Chemical ID: 5857734

CCOC(=O)COc1ccc(cc1OC)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)Cl
Chemical ID:
5857734
Name [?]:
ethyl 2-[4-[[2-(4-chlorobenzoyl)amino-3-methyl-butanoyl]aminoiminomethyl]-2-methoxy-phenoxy]acetate
SMILES [?]:
CCOC(=O)COc1ccc(cc1OC)C=NNC(=O)C(C(C)C)NC(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C24H28ClN3O6/c1-5-33-21(29)14-34-19-11-6-16(12-20(19)32-4)13-26-28-24(31)22(15(2)3)27-23(30)17-7-9-18(25)10-8-17/h6-13,15,22H,5,14H2,1-4H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,23,24,15,2,10,29,33,30,32,9,12,16,6,22,11,28,31,8,13,4,21,26,19,34,17,25,18,5,27,20,14,3,7/E:(2,3)(7,8)(9,10)/rA:34cCCOCOCOCCCCCCOCCNNCOCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;s8;d9;s10;d11;d8s12;s13;s14;s11;w16;s17;s18;d19;s19;s21;s22;s22;s21;s25;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H28ClN3O6
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:10.2566
Area:754.357
Solvation:-8.60234
Coulombic:-74.5597
Bond Count [?]
All:35
Single:25
Double:10
Rotors:14
Chiral:1
Rigid Segments:11
Chemical Properties
Molecular Weight:489.948
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:4.66
LogP (Chemaxon):3.5

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Descriptor Annotations

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