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Chemical ID: 6266704
Chemical ID:
6266704
Name [?]:
4-benzoyl-N-[4-(3-methoxyphenyl)thiazol-2-yl]-benzamide
SMILES [?]:
COc1cccc(c1)c2csc(n2)NC(=O)c3ccc(cc3)C(=O)c4ccccc4
InChi [?]:
InChI=1/C24H18N2O3S/c1-29-20-9-5-8-19(14-20)21-15-30-24(25-21)26-23(28)18-12-10-17(11-13-18)22(27)16-6-3-2-4-7-16/h2-15H,1H3,(H,25,26,28)
InChi Info:
AuxInfo=1/1/N:1,28,27,29,5,26,30,6,4,19,21,18,22,8,10,25,20,17,7,3,9,23,15,12,13,14,24,16,2,11/E:(3,4)(6,7)(10,11)(12,13)/rA:30nCOCCCCCCCCSCNNCOCCCCCCCOCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;d9;s10;s11;s9d12;s12;s14;d15;s15;s17;d18;s19;d20;d17s21;s20;d23;s23;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H18N2O3S |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.4513 |
Area: | 645.455 |
Solvation: | -4.68511 |
Coulombic: | -45.9936 |
Bond Count [?]
All: | 33 |
Single: | 20 |
Double: | 13 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 414.477 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 5.3 |
LogP (Chemaxon): | 5.41 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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