Chemical ID: 5858623

CC(C)C(C(=O)NN=Cc1ccc(cc1)N2CCCC2)NC(=O)c3ccc(cc3)Cl
Chemical ID:
5858623
Name [?]:
4-chloro-N-[2-methyl-1-[(4-pyrrolidin-1-ylphenyl)methyleneaminocarbamoyl]propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(cc1)N2CCCC2)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C23H27ClN4O2/c1-16(2)21(26-22(29)18-7-9-19(24)10-8-18)23(30)27-25-15-17-5-11-20(12-6-17)28-13-3-4-14-28/h5-12,15-16,21H,3-4,13-14H2,1-2H3,(H,26,29)(H,27,30)
InChi Info:
AuxInfo=1/1/N:1,3,18,19,11,15,25,29,26,28,12,14,17,20,9,2,10,24,27,13,4,22,5,30,8,21,7,16,23,6/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:30cCCCCCONNCCCCCCCNCCCCNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s17;s18;s16s19;s4;s21;d22;s22;s24;d25;s26;d27;d24s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H27ClN4O2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:12.6166
Area:671.152
Solvation:-4.1622
Coulombic:-49.004
Bond Count [?]
All:32
Single:23
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:426.939
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.68
LogP (Chemaxon):4.68

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Descriptor Annotations

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