Chemical ID: 4805547

CC1(C(N2C(S1)c3ccccc3C2=O)C(=O)NCCc4cccc(c4)F)C
Chemical ID:
4805547
Name [?]:
None
SMILES [?]:
CC1(C(N2C(S1)c3ccccc3C2=O)C(=O)NCCc4cccc(c4)F)C
InChi [?]:
InChI=1/C21H21FN2O2S/c1-21(2)17(18(25)23-11-10-13-6-5-7-14(22)12-13)24-19(26)15-8-3-4-9-16(15)20(24)27-21/h3-9,12,17,20H,10-11H2,1-2H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,27,10,9,22,21,23,11,8,19,18,25,20,24,12,7,3,15,13,5,2,26,17,4,16,14,6/E:(1,2)/rA:27cCCCNCSCCCCCCCOCONCCCCCCCCFC/rB:s1;s2;s3;s4;s2s5;s5;s7;d8;s9;d10;d7s11;s4s12;d13;s3;d15;s15;s17;s18;s19;s20;d21;s22;d23;d20s24;s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21FN2O2S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:9.5821
Area:575.964
Solvation:-4.81699
Coulombic:-44.5264
Bond Count [?]
All:30
Single:22
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:384.468
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.76
LogP (Chemaxon):3.15

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