Chemical ID: 6001030

COCCN(CC(=O)Nc1nccs1)C(=O)c2ccccc2F
Chemical ID:
6001030
Name [?]:
2-fluoro-N-(2-methoxyethyl)-N-(thiazol-2-ylcarbamoylmethyl)benzamide
SMILES [?]:
COCCN(CC(=O)Nc1nccs1)C(=O)c2ccccc2F
InChi [?]:
InChI=1/C15H16FN3O3S/c1-22-8-7-19(10-13(20)18-15-17-6-9-23-15)14(21)11-4-2-3-5-12(11)16/h2-6,9H,7-8,10H2,1H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,21,12,4,3,13,6,17,22,7,15,10,23,11,9,5,8,16,2,14/rA:23nCOCCNCCONCNCCSCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;s10s13;s5;d15;s15;s17;d18;s19;d20;d17s21;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16FN3O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:4.95548
Area:525.534
Solvation:-8.18287
Coulombic:-50.846
Bond Count [?]
All:24
Single:17
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:337.37
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.85
LogP (Chemaxon):1.51

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Experimental Annotations

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Descriptor Annotations

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