Chemical ID: 7143376

CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc4c(c3)OCO4)S2
Chemical ID:
7143376
Name [?]:
N-[4-[5-(benzo[1,3]dioxol-5-ylmethylene)-4-oxo-thiazol-2-yl]aminophenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)NC2=NC(=O)C(=Cc3ccc4c(c3)OCO4)S2
InChi [?]:
InChI=1/C19H15N3O4S/c1-11(23)20-13-3-5-14(6-4-13)21-19-22-18(24)17(27-19)9-12-2-7-15-16(8-12)26-10-25-15/h2-9H,10H2,1H3,(H,20,23)(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,19,6,10,7,9,20,23,17,25,2,18,5,8,21,22,16,14,12,4,11,13,3,15,26,24,27/E:(3,4)(5,6)/rA:27nCCONCCCCCCNCNCOCCCCCCCCOCOS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s13;d14;s14;w16;s17;s18;d19;s20;d21;d18s22;s22;s24;s21s25;s12s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3O4S
All Atoms:42
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.89456
Area:586.098
Solvation:-4.75789
Coulombic:-63.5527
Bond Count [?]
All:30
Single:20
Double:10
Rotors:5
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:381.406
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:1.94
LogP (Chemaxon):3.21

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Descriptor Annotations

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