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Chemical ID: 6030063
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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