Chemical ID: 6002014

Cc1cc(no1)NC(=O)CN(CCN2CCCCC2)C(=O)c3cccc(c3)F
Chemical ID:
6002014
Name [?]:
3-fluoro-N-[(5-methylisoxazol-3-yl)carbamoylmethyl]-N-[2-(1-piperidyl)ethyl]benzamide
SMILES [?]:
Cc1cc(no1)NC(=O)CN(CCN2CCCCC2)C(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C20H25FN4O3/c1-15-12-18(23-28-15)22-19(26)14-25(11-10-24-8-3-2-4-9-24)20(27)16-6-5-7-17(21)13-16/h5-7,12-13H,2-4,8-11,14H2,1H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,17,16,18,24,23,25,15,19,13,12,3,27,10,2,22,26,4,8,20,28,7,5,14,11,9,21,6/E:(3,4)(8,9)/rA:28nCCCCNONCOCNCCNCCCCCCOCCCCCCF/rB:s1;d2;s3;d4;s2s5;s4;s7;d8;s8;s10;s11;s12;s13;s14;s15;s16;s17;s14s18;s11;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25FN4O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.79036
Area:604.138
Solvation:-5.3131
Coulombic:-49.4404
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:388.436
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.47
LogP (Chemaxon):2.06

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