Chemical ID: 5276055

CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccccc4F
Chemical ID:
5276055
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccccc3oc2C1=O)c4ccccc4F
InChi [?]:
InChI=1/C22H21FN2O3/c1-24(2)12-7-13-25-19(14-8-3-5-10-16(14)23)18-20(26)15-9-4-6-11-17(15)28-21(18)22(25)27/h3-6,8-11,19H,7,12-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,24,14,25,15,5,23,13,26,16,4,6,22,12,27,17,9,8,10,19,20,28,2,7,11,21,18/E:(1,2)/rA:28cCNCCCCNCCCOCCCCCCOCCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21FN2O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:9.959
Area:577.816
Solvation:-4.48641
Coulombic:-44.0759
Bond Count [?]
All:31
Single:22
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:380.412
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.79
LogP (Chemaxon):2.83

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Descriptor Annotations

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