Chemical ID: 7418000

CN(C)CCCN1C(c2c(=O)c3ccc4ccccc4c3oc2C1=O)c5ccccc5F
Chemical ID:
7418000
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3ccc4ccccc4c3oc2C1=O)c5ccccc5F
InChi [?]:
InChI=1/C26H23FN2O3/c1-28(2)14-7-15-29-22(18-10-5-6-11-20(18)27)21-23(30)19-13-12-16-8-3-4-9-17(16)24(19)32-25(21)26(29)31/h3-6,8-13,22H,7,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,17,18,28,29,5,16,19,27,30,14,13,4,6,15,20,26,12,31,9,8,10,21,23,24,32,2,7,11,25,22/E:(1,2)/rA:32cCNCCCCNCCCOCCCCCCCCCCOCCOCCCCCCF/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;s15;d16;s17;d18;d15s19;d12s20;s21;d9s22;s7s23;d24;s8;s26;d27;s28;d29;d26s30;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H23FN2O3
All Atoms:55
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:11.4626
Area:636.726
Solvation:-4.45553
Coulombic:-45.1474
Bond Count [?]
All:36
Single:25
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:430.471
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):3.83

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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