Chemical ID: 5992609

CN(C)c1ccc(cc1)c2nnc(s2)NC(=O)C3CCCN3C(=O)Nc4ccc(cc4)C(F)(F)F
Chemical ID:
5992609
Name [?]:
N'-[5-(4-dimethylaminophenyl)-1,3,4-thiadiazol-2-yl]-N,N-dipyrrolidin-5-yl-pyrrolidine-1,2-dicarboxamide
SMILES [?]:
CN(C)c1ccc(cc1)c2nnc(s2)NC(=O)C3CCCN3C(=O)Nc4ccc(cc4)C(F)(F)F
InChi [?]:
InChI=1/C23H23F3N6O2S/c1-31(2)17-11-5-14(6-12-17)20-29-30-21(35-20)28-19(33)18-4-3-13-32(18)22(34)27-16-9-7-15(8-10-16)23(24,25)26/h5-12,18H,3-4,13H2,1-2H3,(H,27,34)(H,28,30,33)
InChi Info:
AuxInfo=1/1/N:1,3,20,19,6,8,28,30,27,31,5,9,21,7,29,26,4,18,16,10,13,23,32,33,34,35,25,15,11,12,2,22,17,24,14/E:(1,2)(5,6)(7,8)(9,10)(11,12)(24,25,26)/rA:35cCNCCCCCCCCNNCSNCOCCCCNCONCCCCCCCFFF/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;d12;s10s13;s13;s15;d16;s16;s18;s19;s20;s18s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s29;s32;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23F3N6O2S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:12.353
Area:725.004
Solvation:-5.77213
Coulombic:-79.7864
Bond Count [?]
All:38
Single:28
Double:10
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:504.529
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:4.73
LogP (Chemaxon):4.56

Name Annotations

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Descriptor Annotations

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