Chemical ID: 5943757

CCOCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc(c2)F
Chemical ID:
5943757
Name [?]:
methyl 2-[[3-ethoxypropyl-(3-fluorobenzoyl)-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCOCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C18H21FN2O4S/c1-3-25-9-5-8-21(17(22)13-6-4-7-14(19)10-13)11-16-20-15(12-26-16)18(23)24-2/h4,6-7,10,12H,3,5,8-9,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,17,2,22,5,21,23,6,4,25,8,12,20,24,11,9,18,14,26,10,7,19,15,16,3,13/rA:26nCCOCCCNCCNCCSCOOCCOCCCCCCF/rB:s1;s2;s3;s4;s5;s6;s7;s8;d9;s10;d11;s9s12;s11;d14;s14;s16;s7;d18;s18;s20;d21;s22;d23;d20s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H21FN2O4S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:9.32021
Area:606.397
Solvation:-5.83972
Coulombic:-54.2717
Bond Count [?]
All:27
Single:20
Double:7
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:380.435
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.5
LogP (Chemaxon):1.9

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Descriptor Annotations

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