Chemical ID: 5856067

CC(C)C(C(=O)NN=Cc1ccc(cc1)C(C)(C)C)NC(=O)c2cccc(c2)Cl
Chemical ID:
5856067
Name [?]:
3-chloro-N-[2-methyl-1-[(4-tert-butylphenyl)methyleneaminocarbamoyl]propyl]-benzamide
SMILES [?]:
CC(C)C(C(=O)NN=Cc1ccc(cc1)C(C)(C)C)NC(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C23H28ClN3O2/c1-15(2)20(26-21(28)17-7-6-8-19(24)13-17)22(29)27-25-14-16-9-11-18(12-10-16)23(3,4)5/h6-15,20H,1-5H3,(H,26,28)(H,27,29)
InChi Info:
AuxInfo=1/1/N:1,3,17,18,19,25,24,26,11,15,12,14,28,9,2,10,23,13,27,4,21,5,16,29,8,20,7,22,6/E:(1,2)(3,4,5)(9,10)(11,12)/rA:29cCCCCCONNCCCCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s2;s4;d5;s5;s7;w8;s9;s10;d11;s12;d13;d10s14;s13;s16;s16;s16;s4;s20;d21;s21;s23;d24;s25;d26;d23s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H28ClN3O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.1653
Area:664.378
Solvation:-3.44419
Coulombic:-44.4685
Bond Count [?]
All:30
Single:21
Double:9
Rotors:9
Chiral:1
Rigid Segments:8
Chemical Properties
Molecular Weight:413.94
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:6.79
LogP (Chemaxon):5.72

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Descriptor Annotations

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