Chemical ID: 5859597

Cc1cc(ccc1N2CCCC2)C=NNC(=O)C(C(C)C)NC(=O)c3ccc(cc3)Cl
Chemical ID:
5859597
Name [?]:
4-chloro-N-[2-methyl-1-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methyleneaminocarbamoyl]propyl]-benzamide
SMILES [?]:
Cc1cc(ccc1N2CCCC2)C=NNC(=O)C(C(C)C)NC(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C24H29ClN4O2/c1-16(2)22(27-23(30)19-7-9-20(25)10-8-19)24(31)28-26-15-18-6-11-21(17(3)14-18)29-12-4-5-13-29/h6-11,14-16,22H,4-5,12-13H2,1-3H3,(H,27,30)(H,28,31)
InChi Info:
AuxInfo=1/1/N:20,21,1,10,11,5,26,30,27,29,6,9,12,3,13,19,2,4,25,28,7,18,23,16,31,14,22,15,8,24,17/E:(1,2)(4,5)(7,8)(9,10)(12,13)/rA:31cCCCCCCCNCCCCCNNCOCCCCNCOCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s8s11;s4;w13;s14;s15;d16;s16;s18;s19;s19;s18;s22;d23;s23;s25;d26;s27;d28;d25s29;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29ClN4O2
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:13.1147
Area:683.894
Solvation:-3.98261
Coulombic:-49.1027
Bond Count [?]
All:33
Single:24
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:440.966
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:5.91
LogP (Chemaxon):5.15

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