Chemical ID: 4798992

C=CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6)F
Chemical ID:
4798992
Name [?]:
None
SMILES [?]:
C=CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccccc6)F
InChi [?]:
InChI=1/C28H19FN2O4/c1-2-14-30-21-11-7-6-10-20(21)28(27(30)34)23-24(32)19-15-18(29)12-13-22(19)35-25(23)26(33)31(28)16-17-8-4-3-5-9-17/h2-13,15H,1,14,16H2
InChi Info:
AuxInfo=1/0/N:1,2,32,31,33,8,7,30,34,9,6,20,21,3,18,28,29,19,17,10,5,22,14,15,24,25,12,11,35,4,27,16,26,13,23/E:(4,5)(8,9)/rA:35cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCF/rB:d1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s11s25;s27;s28;s29;d30;s31;d32;d29s33;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H19FN2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:10.502
Area:621.364
Solvation:-5.03212
Coulombic:-57.3064
Bond Count [?]
All:40
Single:26
Double:14
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:466.46
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.02
LogP (Chemaxon):4.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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