Chemical ID: 4405418

Cc1cc2c(cc1C)NC3=C(C(N2)c4c(cccc4Cl)F)C(=O)CC(C3)(C)C
Chemical ID:
4405418
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)NC3=C(C(N2)c4c(cccc4Cl)F)C(=O)CC(C3)(C)C
InChi [?]:
InChI=1/C23H24ClFN2O/c1-12-8-16-17(9-13(12)2)27-22(20-14(24)6-5-7-15(20)25)21-18(26-16)10-23(3,4)11-19(21)28/h5-9,22,26-27H,10-11H2,1-4H3
InChi Info:
AuxInfo=1/0/N:8,1,27,28,17,18,16,6,3,26,24,7,2,19,15,5,4,10,22,14,11,12,25,20,21,9,13,23/E:(3,4)/rA:28cCCCCCCCCNCCCNCCCCCCClFCOCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s11;s4s12;s12;s14;d15;s16;d17;d14s18;s19;s15;s11;d22;s22;s24;s10s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H24ClFN2O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.0428
Area:555.344
Solvation:-2.84084
Coulombic:-35.7639
Bond Count [?]
All:31
Single:23
Double:8
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:398.901
H-Bond Donors:2
H-Bond Acceptors:3
XLogP:5.74
LogP (Chemaxon):5.29

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