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Chemical ID: 5940728
Chemical ID:
5940728
Name [?]:
2-[[(2,4-dimethoxybenzoyl)-propyl-amino]methyl]-N-propyl-thiazole-4-carboxamide
SMILES [?]:
CCCNC(=O)c1csc(n1)CN(CCC)C(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C20H27N3O4S/c1-5-9-21-19(24)16-13-28-18(22-16)12-23(10-6-2)20(25)15-8-7-14(26-3)11-17(15)27-4/h7-8,11,13H,5-6,9-10,12H2,1-4H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,16,28,26,2,15,21,20,3,14,23,12,8,22,19,7,24,10,5,17,4,11,13,6,18,27,25,9/rA:28nCCCNCOCCSCNCNCCCCOCCCCCCOCOC/rB:s1;s2;s3;s4;d5;s5;d7;s8;s9;s7d10;s10;s12;s13;s14;s15;s13;d17;s17;s19;d20;s21;d22;d19s23;s24;s25;s22;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7363 |
Area: | 652.721 |
Solvation: | -5.58176 |
Coulombic: | -59.9524 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 405.512 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.61 |
LogP (Chemaxon): | 1.99 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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