Chemical ID: 6007074

CCCCN(CC(=O)Nc1ncc(s1)C)C(=O)c2c(cccc2OC)OC
Chemical ID:
6007074
Name [?]:
N-butyl-2,6-dimethoxy-N-[(5-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
CCCCN(CC(=O)Nc1ncc(s1)C)C(=O)c2c(cccc2OC)OC
InChi [?]:
InChI=1/C19H25N3O4S/c1-5-6-10-22(12-16(23)21-19-20-11-13(2)27-19)18(24)17-14(25-3)8-7-9-15(17)26-4/h7-9,11H,5-6,10,12H2,1-4H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,15,25,27,2,3,21,22,20,4,12,6,13,23,19,7,18,16,10,11,9,5,8,17,24,26,14/E:(3,4)(8,9)(14,15)(25,26)/rA:27nCCCCNCCONCNCCSCCOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s13;s5;d16;s16;s18;d19;s20;d21;d18s22;s23;s24;s19;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25N3O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:7.77293
Area:609.388
Solvation:-7.46178
Coulombic:-55.6007
Bond Count [?]
All:28
Single:21
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:391.486
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.91
LogP (Chemaxon):2.23

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Descriptor Annotations

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