Chemical ID: 5859252

CC(C)C(C(=O)NN=Cc1cccnc1)NC(=O)c2cccc(c2)Cl
Chemical ID:
5859252
Name [?]:
3-chloro-N-[2-methyl-1-(3-pyridylmethyleneaminocarbamoyl)propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1cccnc1)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C18H19ClN4O2/c1-12(2)16(22-17(24)14-6-3-7-15(19)9-14)18(25)23-21-11-13-5-4-8-20-10-13/h3-12,16H,1-2H3,(H,22,24)(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,3,21,12,11,20,22,13,24,15,9,2,10,19,23,4,17,5,25,14,8,16,7,18,6/E:(1,2)/rA:25cCCCCCONNCCCCCNCNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s4;s16;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19ClN4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.43
Area:583.918
Solvation:-4.168
Coulombic:-46.4786
Bond Count [?]
All:26
Single:17
Double:9
Rotors:8
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:358.822
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.72
LogP (Chemaxon):2.78

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