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Chemical ID: 6032886
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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