Chemical ID: 5943631

CCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc(c2)F
Chemical ID:
5943631
Name [?]:
methyl 2-[[(3-fluorobenzoyl)-propyl-amino]methyl]thiazole-4-carboxylate
SMILES [?]:
CCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2cccc(c2)F
InChi [?]:
InChI=1/C16H17FN2O3S/c1-3-7-19(15(20)11-5-4-6-12(17)8-11)9-14-18-13(10-23-14)16(21)22-2/h4-6,8,10H,3,7,9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,14,2,19,18,20,3,22,5,9,17,21,8,6,15,11,23,7,4,16,12,13,10/rA:23nCCCNCCNCCSCOOCCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;d11;s11;s13;s4;d15;s15;s17;d18;s19;d20;d17s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17FN2O3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.11133
Area:530.833
Solvation:-4.1595
Coulombic:-47.3154
Bond Count [?]
All:24
Single:17
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:336.382
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.69
LogP (Chemaxon):2.48

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Descriptor Annotations

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