Chemical ID: 5870817

c1cc2c(cc1Cl)cc(c(=O)o2)C(=O)Nc3ncc(s3)Cc4cc(ccc4Cl)Cl
Chemical ID:
5870817
Name [?]:
6-chloro-N-[5-[(2,5-dichlorophenyl)methyl]thiazol-2-yl]-2-oxo-chromene-3-carboxamide
SMILES [?]:
c1cc2c(cc1Cl)cc(c(=O)o2)C(=O)Nc3ncc(s3)Cc4cc(ccc4Cl)Cl
InChi [?]:
InChI=1/C20H11Cl3N2O3S/c21-12-1-3-16(23)10(5-12)7-14-9-24-20(29-14)25-18(26)15-8-11-6-13(22)2-4-17(11)28-19(15)27/h1-6,8-9H,7H2,(H,24,25,26)
InChi Info:
AuxInfo=1/1/N:25,1,26,2,23,5,21,8,18,22,4,24,6,19,9,27,3,13,10,16,29,7,28,17,15,14,11,12,20/rA:29nCCCCCCClCCCOOCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s6;s4;d8;s9;d10;s3s10;s9;d13;s13;s15;d16;s17;d18;s16s19;s19;s21;s22;d23;s24;d25;d22s26;s27;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H11Cl3N2O3S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:11.3384
Area:661.118
Solvation:-5.18954
Coulombic:-44.9212
Bond Count [?]
All:32
Single:21
Double:11
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:465.737
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:4.48
LogP (Chemaxon):5.67

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Descriptor Annotations

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