Chemical ID: 7466863

CCCCOc1ccc2ccccc2c1c3nc(c(s3)C(=O)O)C
Chemical ID:
7466863
Name [?]:
2-(2-butoxy-1-naphthyl)-4-methyl-thiazole-5-carboxylic acid
SMILES [?]:
CCCCOc1ccc2ccccc2c1c3nc(c(s3)C(=O)O)C
InChi [?]:
InChI=1/C19H19NO3S/c1-3-4-11-23-15-10-9-13-7-5-6-8-14(13)16(15)18-20-12(2)17(24-18)19(21)22/h5-10H,3-4,11H2,1-2H3,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,2,3,11,12,10,13,8,7,4,18,9,14,6,15,19,16,21,17,22,23,5,20/E:(21,22)/rA:24nCCCCOCCCCCCCCCCCNCCSCOOC/rB:s1;s2;s3;s4;s5;s6;d7;s8;s9;d10;s11;d12;d9s13;d6s14;s15;d16;s17;d18;s16s19;s19;d21;s21;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19NO3S
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9214
Area:552.99
Solvation:-2.90336
Coulombic:-42.748
Bond Count [?]
All:26
Single:18
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:341.425
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.41
LogP (Chemaxon):4.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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