Chemical ID: 6038345

CCCCN(CCC(=O)NC(C)CCc1ccccc1)C(=O)c2cnc(cn2)C
Chemical ID:
6038345
Name [?]:
N-butyl-5-methyl-N-[2-[(1-methyl-3-phenyl-propyl)carbamoyl]ethyl]pyrazine-2-carboxamide
SMILES [?]:
CCCCN(CCC(=O)NC(C)CCc1ccccc1)C(=O)c2cnc(cn2)C
InChi [?]:
InChI=1/C23H32N4O2/c1-4-5-14-27(23(29)21-17-24-19(3)16-25-21)15-13-22(28)26-18(2)11-12-20-9-7-6-8-10-20/h6-10,16-18H,4-5,11-15H2,1-3H3,(H,26,28)
InChi Info:
AuxInfo=1/1/N:1,12,29,2,3,18,17,19,16,20,13,14,7,4,6,27,24,11,26,15,23,8,21,25,28,10,5,9,22/E:(7,8)(9,10)/rA:29cCCCCNCCCONCCCCCCCCCCCOCCNCCNC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s11;s13;s14;s15;d16;s17;d18;d15s19;s5;d21;s21;s23;d24;s25;d26;d23s27;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H32N4O2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:13.6894
Area:675.947
Solvation:-3.20925
Coulombic:-50.5465
Bond Count [?]
All:30
Single:22
Double:8
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:396.526
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.32
LogP (Chemaxon):2.29

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Descriptor Annotations

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