Chemical ID: 3862316

CCCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)c3ccc(cc3)C
Chemical ID:
3862316
Name [?]:
N-butyl-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-methyl-benzamide
SMILES [?]:
CCCCN(c1nc(cs1)c2cc(ccc2OC)OC)C(=O)c3ccc(cc3)C
InChi [?]:
InChI=1/C23H26N2O3S/c1-5-6-13-25(22(26)17-9-7-16(2)8-10-17)23-24-20(15-29-23)19-14-18(27-3)11-12-21(19)28-4/h7-12,14-15H,5-6,13H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,20,18,2,3,25,27,24,28,14,15,4,12,9,26,23,13,11,8,16,21,6,7,5,22,19,17,10/E:(7,8)(9,10)/rA:29nCCCCNCNCCSCCCCCCOCOCCOCCCCCCC/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;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H26N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:9.96494
Area:636.16
Solvation:-5.93907
Coulombic:-37.6908
Bond Count [?]
All:31
Single:22
Double:9
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:410.53
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.59
LogP (Chemaxon):5.38

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Descriptor Annotations

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