Chemical ID: 5857364

CCCOc1ccc(cc1OC)C=NNC(=O)C(C(C)C)NC(=O)c2cccc(c2)Cl
Chemical ID:
5857364
Name [?]:
3-chloro-N-[1-[(3-methoxy-4-propoxy-phenyl)methyleneaminocarbamoyl]-2-methyl-propyl]-benzamide
SMILES [?]:
CCCOc1ccc(cc1OC)C=NNC(=O)C(C(C)C)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C23H28ClN3O4/c1-5-11-31-19-10-9-16(12-20(19)30-4)14-25-27-23(29)21(15(2)3)26-22(28)17-7-6-8-18(24)13-17/h6-10,12-15,21H,5,11H2,1-4H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,20,21,12,2,27,26,28,7,6,3,9,30,13,19,8,25,29,5,10,18,23,16,31,14,22,15,24,17,11,4/E:(2,3)/rA:31cCCCOCCCCCCOCCNNCOCCCCNCOCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s11;s8;w13;s14;s15;d16;s16;s18;s19;s19;s18;s22;d23;s23;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28ClN3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.6168
Area:700.802
Solvation:-6.9033
Coulombic:-56.521
Bond Count [?]
All:32
Single:23
Double:9
Rotors:12
Chiral:1
Rigid Segments:10
Chemical Properties
Molecular Weight:445.939
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.31
LogP (Chemaxon):4.4

Name Annotations

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Descriptor Annotations

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