Chemical ID: 6003253

Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)c2ccc(cc2)OC
Chemical ID:
6003253
Name [?]:
N-(2-dimethylaminoethyl)-4-methoxy-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCN(C)C)C(=O)c2ccc(cc2)OC
InChi [?]:
InChI=1/C18H24N4O3S/c1-13-12-26-18(19-13)20-16(23)11-22(10-9-21(2)3)17(24)14-5-7-15(25-4)8-6-14/h5-8,12H,9-11H2,1-4H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,15,16,26,20,24,21,23,13,12,10,3,2,19,22,8,17,5,6,7,14,11,9,18,25,4/E:(2,3)(5,6)(7,8)/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;s22;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H24N4O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.47166
Area:604.869
Solvation:-5.65006
Coulombic:-53.9431
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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Descriptor Annotations

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