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Chemical ID: 4377575
Chemical ID:
4377575
Name [?]:
N-[3-(2-benzylaminothiazol-4-yl)phenyl]benzamide
SMILES [?]:
c1ccc(cc1)CNc2nc(cs2)c3cccc(c3)NC(=O)c4ccccc4
InChi [?]:
InChI=1/C23H19N3OS/c27-22(18-10-5-2-6-11-18)25-20-13-7-12-19(14-20)21-16-28-23(26-21)24-15-17-8-3-1-4-9-17/h1-14,16H,15H2,(H,24,26)(H,25,27)
InChi Info:
AuxInfo=1/1/N:1,26,2,6,25,27,16,3,5,24,28,15,17,19,7,12,4,23,14,18,11,21,9,8,20,10,22,13/E:(3,4)(5,6)(8,9)(10,11)/rA:28nCCCCCCCNCNCCSCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;s9s12;s11;s14;d15;s16;d17;d14s18;s18;s20;d21;s21;s23;d24;s25;d26;d23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H19N3OS |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7901 |
Area: | 632.085 |
Solvation: | -3.012 |
Coulombic: | -43.0282 |
Bond Count [?]
All: | 31 |
Single: | 19 |
Double: | 12 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 385.483 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 3 |
XLogP: | 5.18 |
LogP (Chemaxon): | 5.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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