Chemical ID: 3928748

CCCN(c1nnc(s1)c2ccc(c(c2)OC)OC)C(=O)c3cccc(c3)F
Chemical ID:
3928748
Name [?]:
N-[5-(3,4-dimethoxyphenyl)-1,3,4-thiadiazol-2-yl]-3-fluoro-N-propyl-benzamide
SMILES [?]:
CCCN(c1nnc(s1)c2ccc(c(c2)OC)OC)C(=O)c3cccc(c3)F
InChi [?]:
InChI=1/C20H20FN3O3S/c1-4-10-24(19(25)14-6-5-7-15(21)11-14)20-23-22-18(28-20)13-8-9-16(26-2)17(12-13)27-3/h5-9,11-12H,4,10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,19,17,2,24,23,25,11,12,3,27,15,10,22,26,13,14,8,20,5,28,7,6,4,21,18,16,9/rA:28nCCCNCNNCSCCCCCCOCOCCOCCCCCCF/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s12;d13;d10s14;s14;s16;s13;s18;s4;d20;s20;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H20FN3O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:8.84284
Area:603.034
Solvation:-6.23302
Coulombic:-40.9999
Bond Count [?]
All:30
Single:21
Double:9
Rotors:8
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:401.456
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.83
LogP (Chemaxon):3.53

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Descriptor Annotations

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