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Chemical ID: 5083246
Chemical ID:
5083246
Name [?]:
N-[5-[(2,3-dichlorophenyl)methyl]thiazol-2-yl]-2-oxo-chromene-3-carboxamide
SMILES [?]:
c1ccc2c(c1)cc(c(=O)o2)C(=O)Nc3ncc(s3)Cc4cccc(c4Cl)Cl
InChi [?]:
InChI=1/C20H12Cl2N2O3S/c21-15-6-3-5-12(17(15)22)8-13-10-23-20(28-13)24-18(25)14-9-11-4-1-2-7-16(11)27-19(14)26/h1-7,9-10H,8H2,(H,23,24,25)
InChi Info:
AuxInfo=1/1/N:1,2,23,6,22,24,3,20,7,17,5,21,18,8,25,4,26,12,9,15,28,27,16,14,13,10,11,19/rA:28nCCCCCCCCCOOCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s5;d7;s8;d9;s4s9;s8;d12;s12;s14;d15;s16;d17;s15s18;s18;s20;s21;d22;s23;d24;d21s25;s26;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H12Cl2N2O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4016 |
Area: | 616.266 |
Solvation: | -5.00501 |
Coulombic: | -45.5584 |
Bond Count [?]
All: | 31 |
Single: | 20 |
Double: | 11 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 431.292 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 3.86 |
LogP (Chemaxon): | 5.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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