Chemical ID: 6039031

Cc1ccc(cc1C)NC(=O)CCN(C2CC2)C(=O)c3cnccn3
Chemical ID:
6039031
Name [?]:
N-cyclopropyl-N-[2-[(3,4-dimethylphenyl)carbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
Cc1ccc(cc1C)NC(=O)CCN(C2CC2)C(=O)c3cnccn3
InChi [?]:
InChI=1/C19H22N4O2/c1-13-3-4-15(11-14(13)2)22-18(24)7-10-23(16-5-6-16)19(25)17-12-20-8-9-21-17/h3-4,8-9,11-12,16H,5-7,10H2,1-2H3,(H,22,24)
InChi Info:
AuxInfo=1/1/N:1,8,3,4,16,17,12,23,24,13,6,21,2,7,5,15,20,10,18,22,25,9,14,11,19/E:(5,6)/rA:25nCCCCCCCCNCOCCNCCCCOCCNCCN/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s10;s12;s13;s14;s15;s15s16;s14;d18;s18;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22N4O2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.6538
Area:552.622
Solvation:-3.1617
Coulombic:-47.7066
Bond Count [?]
All:27
Single:19
Double:8
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:338.404
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.95
LogP (Chemaxon):1.56

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