Chemical ID: 6030234

Cc1ccc(cc1)C(=O)N(CC(C)C)CC(=O)Nc2nc(cs2)CC(=O)Nc3ccc(cc3)F
Chemical ID:
6030234
Name [?]:
N-[[4-[(4-fluorophenyl)carbamoylmethyl]thiazol-2-yl]carbamoylmethyl]-N-isobutyl-4-methyl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)N(CC(C)C)CC(=O)Nc2nc(cs2)CC(=O)Nc3ccc(cc3)F
InChi [?]:
InChI=1/C25H27FN4O3S/c1-16(2)13-30(24(33)18-6-4-17(3)5-7-18)14-23(32)29-25-28-21(15-34-25)12-22(31)27-20-10-8-19(26)9-11-20/h4-11,15-16H,12-14H2,1-3H3,(H,27,31)(H,28,29,32)
InChi Info:
AuxInfo=1/1/N:13,14,1,3,7,4,6,30,32,29,33,24,11,15,22,12,2,5,31,28,21,25,16,8,19,34,27,20,18,10,26,17,9,23/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:34nCCCCCCCCONCCCCCCONCNCCSCCONCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;s12;s12;s10;s15;d16;s16;s18;d19;s20;d21;s19s22;s21;s24;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H27FN4O3S
All Atoms:34
Heavy Atoms:34
Chiral Atoms:0
ZAP Information [?]
Total:11.5579
Area:726.668
Solvation:-6.60875
Coulombic:-65.7
Bond Count [?]
All:36
Single:25
Double:11
Rotors:12
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:482.571
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.66
LogP (Chemaxon):4.92

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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