Chemical ID: 6032766

CC(C)CN(CC(=O)Nc1nc(cs1)CC(=O)NCc2ccncc2)C(=O)c3ccccc3Cl
Chemical ID:
6032766
Name [?]:
2-chloro-N-isobutyl-N-[[4-(4-pyridylmethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CC(C)CN(CC(=O)Nc1nc(cs1)CC(=O)NCc2ccncc2)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C24H26ClN5O3S/c1-16(2)13-30(23(33)19-5-3-4-6-20(19)25)14-22(32)29-24-28-18(15-34-24)11-21(31)27-12-17-7-9-26-10-8-17/h3-10,15-16H,11-14H2,1-2H3,(H,27,31)(H,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,3,30,31,29,32,21,25,22,24,15,19,4,6,13,2,20,12,28,33,16,7,26,10,34,23,18,11,9,5,17,8,27,14/E:(1,2)(7,8)(9,10)/rA:34nCCCCNCCONCNCCSCCONCCCCNCCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s12;s15;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s5;d26;s26;s28;d29;s30;d31;d28s32;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H26ClN5O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.998
Area:745.278
Solvation:-6.63389
Coulombic:-66.628
Bond Count [?]
All:36
Single:25
Double:11
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:500.014
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:2.58
LogP (Chemaxon):3.14

Name Annotations

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Descriptor Annotations

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