Chemical ID: 6032886

CCONC(=O)Cc1csc(n1)NC(=O)CN(C(C)C)C(=O)c2ccccc2
Chemical ID:
6032886
Name [?]:
N-[[4-(ethoxycarbamoylmethyl)thiazol-2-yl]carbamoylmethyl]-N-isopropyl-benzamide
SMILES [?]:
CCONC(=O)Cc1csc(n1)NC(=O)CN(C(C)C)C(=O)c2ccccc2
InChi [?]:
InChI=1/C19H24N4O4S/c1-4-27-22-16(24)10-15-12-28-19(20-15)21-17(25)11-23(13(2)3)18(26)14-8-6-5-7-9-14/h5-9,12-13H,4,10-11H2,1-3H3,(H,22,24)(H,20,21,25)
InChi Info:
AuxInfo=1/1/N:1,19,20,2,26,25,27,24,28,7,16,9,18,23,8,5,14,21,11,12,13,4,17,6,15,22,3,10/E:(2,3)(6,7)(8,9)/rA:28nCCONCOCCCSCNNCOCNCCCCOCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;s10;s8d11;s11;s13;d14;s14;s16;s17;s18;s18;s17;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N4O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.11298
Area:634.858
Solvation:-7.75848
Coulombic:-59.5917
Bond Count [?]
All:29
Single:21
Double:8
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:404.484
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.88
LogP (Chemaxon):2.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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