Chemical ID: 3862324

CCCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)c3ccccc3F
Chemical ID:
3862324
Name [?]:
N-butyl-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-2-fluoro-benzamide
SMILES [?]:
CCCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)c3ccccc3F
InChi [?]:
InChI=1/C22H23FN2O3S/c1-4-5-12-25(21(26)16-8-6-7-9-18(16)23)22-24-19(14-29-22)17-13-15(27-2)10-11-20(17)28-3/h6-11,13-14H,4-5,12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,20,18,2,3,25,26,24,27,14,15,4,12,9,13,23,11,28,8,16,21,6,29,7,5,22,19,17,10/rA:29nCCCCNCNCCSCCCCCCOCOCCOCCCCCCF/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s16;s17;s13;s19;s5;d21;s21;s23;d24;s25;d26;d23s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H23FN2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:8.3959
Area:624.639
Solvation:-7.22008
Coulombic:-40.1673
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:414.494
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.31
LogP (Chemaxon):5.06

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Descriptor Annotations

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