Chemical ID: 4476434

CCCSc1nnc(s1)NC(=O)c2ccccc2OC
Chemical ID:
4476434
Name [?]:
2-methoxy-N-(5-propylsulfanyl-1,3,4-thiadiazol-2-yl)-benzamide
SMILES [?]:
CCCSc1nnc(s1)NC(=O)c2ccccc2OC
InChi [?]:
InChI=1/C13H15N3O2S2/c1-3-8-19-13-16-15-12(20-13)14-11(17)9-6-4-5-7-10(9)18-2/h4-7H,3,8H2,1-2H3,(H,14,15,17)
InChi Info:
AuxInfo=1/1/N:1,20,2,15,16,14,17,3,13,18,11,8,5,10,7,6,12,19,4,9/rA:20nCCCSCNNCSNCOCCCCCCOC/rB:s1;s2;s3;s4;d5;s6;d7;s5s8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H15N3O2S2
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:8.49588
Area:518.176
Solvation:-4.45852
Coulombic:-33.7369
Bond Count [?]
All:21
Single:15
Double:6
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:309.409
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.65
LogP (Chemaxon):3.04

Name Annotations

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Descriptor Annotations

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