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Chemical ID: 6007341
Chemical ID:
6007341
Name [?]:
2,4-dimethoxy-N-pentyl-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
CCCCCN(CC(=O)Nc1nccs1)C(=O)c2ccc(cc2OC)OC
InChi [?]:
InChI=1/C19H25N3O4S/c1-4-5-6-10-22(13-17(23)21-19-20-9-11-27-19)18(24)15-8-7-14(25-2)12-16(15)26-3/h7-9,11-12H,4-6,10,13H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,27,25,2,3,4,20,19,13,5,14,22,7,21,18,23,8,16,11,12,10,6,9,17,26,24,15/rA:27nCCCCCNCCONCNCCSCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s6;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;s21;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H25N3O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.79661 |
Area: | 629.384 |
Solvation: | -7.938 |
Coulombic: | -54.6883 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 391.486 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.63 |
LogP (Chemaxon): | 2.63 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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