Chemical ID: 6030063

Cc1ccc(cc1)NC(=O)Cc2csc(n2)NC(=O)CN(CC(C)C)C(=O)c3ccc(cc3)OC
Chemical ID:
6030063
Name [?]:
N-isobutyl-4-methoxy-N-[[4-(p-tolylcarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]benzamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)Cc2csc(n2)NC(=O)CN(CC(C)C)C(=O)c3ccc(cc3)OC
InChi [?]:
InChI=1/C26H30N4O4S/c1-17(2)14-30(25(33)19-7-11-22(34-4)12-8-19)15-24(32)29-26-28-21(16-35-26)13-23(31)27-20-9-5-18(3)6-10-20/h5-12,16-17H,13-15H2,1-4H3,(H,27,31)(H,28,29,32)
InChi Info:
AuxInfo=1/1/N:24,25,1,35,3,7,29,33,4,6,30,32,11,22,20,13,23,2,28,5,12,31,9,18,26,15,8,16,17,21,10,19,27,34,14/E:(1,2)(5,6)(7,8)(9,10)(11,12)/rA:35nCCCCCCCNCOCCCSCNNCOCNCCCCCOCCCCCCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;s14;s12d15;s15;s17;d18;s18;s20;s21;s22;s23;s23;s21;d26;s26;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H30N4O4S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:11.8394
Area:752.666
Solvation:-6.97723
Coulombic:-69.0216
Bond Count [?]
All:37
Single:26
Double:11
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:494.607
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.42
LogP (Chemaxon):4.53

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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