Chemical ID: 6181088

CCOC(=O)CSc1nnc(s1)NC(=O)c2ccccc2F
Chemical ID:
6181088
Name [?]:
ethyl 2-[[5-(2-fluorobenzoyl)amino-1,3,4-thiadiazol-2-yl]sulfanyl]acetate
SMILES [?]:
CCOC(=O)CSc1nnc(s1)NC(=O)c2ccccc2F
InChi [?]:
InChI=1/C13H12FN3O3S2/c1-2-20-10(18)7-21-13-17-16-12(22-13)15-11(19)8-5-3-4-6-9(8)14/h3-6H,2,7H2,1H3,(H,15,16,19)
InChi Info:
AuxInfo=1/1/N:1,2,18,19,17,20,6,16,21,4,14,11,8,22,13,10,9,5,15,3,7,12/rA:22nCCOCOCSCNNCSNCOCCCCCCF/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;s8s11;s11;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H12FN3O3S2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:8.45027
Area:545.447
Solvation:-5.18592
Coulombic:-47.1793
Bond Count [?]
All:23
Single:16
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:341.383
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.04
LogP (Chemaxon):2.32

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Descriptor Annotations

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