Chemical ID: 3967907

CC1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O
Chemical ID:
3967907
Name [?]:
None
SMILES [?]:
CC1COc2c3n1cc(c(=O)c3cc(c2N4CCN(CC4)C)F)C(=O)O
InChi [?]:
InChI=1/C18H20FN3O4/c1-10-9-26-17-14-11(16(23)12(18(24)25)8-22(10)14)7-13(19)15(17)21-5-3-20(2)4-6-21/h7-8,10H,3-6,9H2,1-2H3,(H,24,25)
InChi Info:
AuxInfo=1/1/N:1,22,18,20,17,21,13,8,3,2,12,9,14,6,15,10,5,24,23,19,16,7,11,25,26,4/E:(3,4)(5,6)(24,25)/rA:26cCCCOCCNCCCOCCCCNCCNCCCFCOO/rB:s1;s2;s3;s4;s5;s2s6;s7;d8;s9;d10;d6s10;s12;d13;d5s14;s15;s16;s17;s18;s19;s16s20;s19;s14;s9;d24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20FN3O4
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:7.09226
Area:513.584
Solvation:-5.74734
Coulombic:-62.231
Bond Count [?]
All:29
Single:23
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:361.368
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.8
LogP (Chemaxon):-2.01

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Descriptor Annotations

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