Chemical ID: 5914045

Cc1cccc(c1)C(=O)N(CCN(C)C)CC(=O)Nc2nc(c(s2)C)C
Chemical ID:
5914045
Name [?]:
N-(2-dimethylaminoethyl)-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-3-methyl-benzamide
SMILES [?]:
Cc1cccc(c1)C(=O)N(CCN(C)C)CC(=O)Nc2nc(c(s2)C)C
InChi [?]:
InChI=1/C19H26N4O2S/c1-13-7-6-8-16(11-13)18(25)23(10-9-22(4)5)12-17(24)21-19-20-14(2)15(3)26-19/h6-8,11H,9-10,12H2,1-5H3,(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,26,25,14,15,4,3,5,12,11,7,16,2,22,23,6,17,8,20,21,19,13,10,18,9,24/E:(4,5)/rA:26nCCCCCCCCONCCNCCCCONCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;s10;s11;s12;s13;s13;s10;s16;d17;s17;s19;d20;s21;d22;s20s23;s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H26N4O2S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.6537
Area:612.036
Solvation:-4.64724
Coulombic:-47.1962
Bond Count [?]
All:27
Single:20
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:374.501
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:1.57
LogP (Chemaxon):1.89

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