Chemical ID: 3966671

CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F
Chemical ID:
3966671
Name [?]:
None
SMILES [?]:
CCOC(=O)c1c2n(cn1)-c3ccc(cc3C(=O)N(C2)C)F
InChi [?]:
InChI=1/C15H14FN3O3/c1-3-22-15(21)13-12-7-18(2)14(20)10-6-9(16)4-5-11(10)19(12)8-17-13/h4-6,8H,3,7H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,21,2,13,12,15,20,9,14,16,11,7,6,17,4,22,10,19,8,18,5,3/rA:22nCCOCOCCNCNCCCCCCCONCCF/rB:s1;s2;s3;d4;s4;d6;s7;s8;s6d9;s8;s11;d12;s13;d14;d11s15;s16;d17;s17;s7s19;s19;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H14FN3O3
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:7.95106
Area:469.576
Solvation:-3.78834
Coulombic:-51.2675
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:303.288
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:1.92
LogP (Chemaxon):0.48

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Descriptor Annotations

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