Chemical ID: 6003280

Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)c2cccc(c2)OC
Chemical ID:
6003280
Name [?]:
N-(2-dimethylaminoethyl)-3-methoxy-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)c2cccc(c2)OC
InChi [?]:
InChI=1/C18H24N4O3S/c1-13-12-26-18(19-13)20-16(23)11-22(9-8-21(2)3)17(24)14-6-5-7-15(10-14)25-4/h5-7,10,12H,8-9,11H2,1-4H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,26,21,20,22,13,12,24,10,3,2,19,23,8,17,5,6,7,14,11,9,18,25,4/E:(2,3)/rA:26nCCCSCNNCOCNCCNCCCOCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;d20;s21;d22;d19s23;s23;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N4O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.43077
Area:605.226
Solvation:-5.69989
Coulombic:-53.869
Bond Count [?]
All:27
Single:20
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:376.474
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.2
LogP (Chemaxon):1.16

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