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Chemical ID: 7377372
Chemical ID:
7377372
Name [?]:
N-[4-(2-chlorophenyl)thiazol-2-yl]-3-(3,4-dimethoxyphenyl)-propanamide
SMILES [?]:
COc1ccc(cc1OC)CCC(=O)Nc2nc(cs2)c3ccccc3Cl
InChi [?]:
InChI=1/C20H19ClN2O3S/c1-25-17-9-7-13(11-18(17)26-2)8-10-19(24)23-20-22-16(12-27-20)14-5-3-4-6-15(14)21/h3-7,9,11-12H,8,10H2,1-2H3,(H,22,23,24)
InChi Info:
AuxInfo=1/1/N:1,10,23,24,22,25,5,11,4,12,7,19,6,21,26,18,3,8,13,16,27,17,15,14,2,9,20/rA:27nCOCCCCCCOCCCCONCNCCSCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;s16s19;s18;s21;d22;s23;d24;d21s25;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H19ClN2O3S |
All Atoms: | 46 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.23443 |
Area: | 621.411 |
Solvation: | -6.30085 |
Coulombic: | -40.8859 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 402.895 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.99 |
LogP (Chemaxon): | 4.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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