Chemical ID: 3637620

Cc1ccc(cc1)N(Cc2ccc3c(c2)OCO3)C(=O)c4cccs4
Chemical ID:
3637620
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-N-(p-tolyl)thiophene-2-carboxamide
SMILES [?]:
Cc1ccc(cc1)N(Cc2ccc3c(c2)OCO3)C(=O)c4cccs4
InChi [?]:
InChI=1/C20H17NO3S/c1-14-4-7-16(8-5-14)21(20(22)19-3-2-10-25-19)12-15-6-9-17-18(11-15)24-13-23-17/h2-11H,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,3,7,11,4,6,12,24,15,9,17,2,10,5,13,14,21,19,8,20,18,16,25/E:(4,5)(7,8)/rA:25nCCCCCCCNCCCCCCCOCOCOCCCCS/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;d21;s22;d23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H17NO3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.74939
Area:519.945
Solvation:-3.24923
Coulombic:-36.308
Bond Count [?]
All:28
Single:19
Double:9
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:351.42
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.06
LogP (Chemaxon):4.22

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Descriptor Annotations

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