Chemical ID: 4158033

CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3cc(ccc3C)C
Chemical ID:
4158033
Name [?]:
4-(2,5-dimethylphenoxy)-N-[4-(4-ethoxyphenyl)thiazol-2-yl]-butanamide
SMILES [?]:
CCOc1ccc(cc1)c2csc(n2)NC(=O)CCCOc3cc(ccc3C)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-4-27-19-11-9-18(10-12-19)20-15-29-23(24-20)25-22(26)6-5-13-28-21-14-16(2)7-8-17(21)3/h7-12,14-15H,4-6,13H2,1-3H3,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:1,29,28,2,19,18,25,26,6,8,5,9,20,23,11,24,27,7,4,10,22,16,13,14,15,17,3,21,12/E:(9,10)(11,12)/rA:29nCCOCCCCCCCCSCNNCOCCCOCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;s20;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.5957
Area:680.895
Solvation:-5.42668
Coulombic:-41.0547
Bond Count [?]
All:31
Single:22
Double:9
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:410.53
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:5.03
LogP (Chemaxon):5.68

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Descriptor Annotations

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