Chemical ID: 6033277

CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCCc2ccccc2)C(=O)c3ccc(cc3)Cl
Chemical ID:
6033277
Name [?]:
4-chloro-N-isopropyl-N-[[4-(phenethylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
CC(C)N(CC(=O)Nc1nc(cs1)CC(=O)NCCc2ccccc2)C(=O)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C25H27ClN4O3S/c1-17(2)30(24(33)19-8-10-20(26)11-9-19)15-23(32)29-25-28-21(16-34-25)14-22(31)27-13-12-18-6-4-3-5-7-18/h3-11,16-17H,12-15H2,1-2H3,(H,27,31)(H,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,3,23,22,24,21,25,29,33,30,32,19,18,14,5,12,2,20,28,31,11,15,6,26,9,34,17,10,8,4,16,7,27,13/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:34nCCCNCCONCNCCSCCONCCCCCCCCCOCCCCCCCl/rB:s1;s2;s2;s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s11;s14;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s4;d26;s26;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27ClN4O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:13.0827
Area:749.039
Solvation:-5.64327
Coulombic:-64.3178
Bond Count [?]
All:36
Single:25
Double:11
Rotors:13
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:499.026
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.79
LogP (Chemaxon):4.25

Name Annotations

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Descriptor Annotations

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