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Chemical ID: 6038345
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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