Chemical ID: 5470650

c1ccc(cc1)COc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccc(c(c4)Cl)Cl
Chemical ID:
5470650
Name [?]:
4-benzyloxy-N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-benzamide
SMILES [?]:
c1ccc(cc1)COc2ccc(cc2)C(=O)Nc3ncc(s3)Cc4ccc(c(c4)Cl)Cl
InChi [?]:
InChI=1/C24H18Cl2N2O2S/c25-21-11-6-17(13-22(21)26)12-20-14-27-24(31-20)28-23(29)18-7-9-19(10-8-18)30-15-16-4-2-1-3-5-16/h1-11,13-14H,12,15H2,(H,27,28,29)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,5,25,11,13,10,14,26,23,29,20,7,4,24,12,9,21,27,28,15,18,31,30,19,17,16,8,22/E:(2,3)(4,5)(7,8)(9,10)/rA:31nCCCCCCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;s18s21;s21;s23;s24;d25;s26;d27;d24s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H18Cl2N2O2S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:0
ZAP Information [?]
Total:13.2611
Area:714.89
Solvation:-4.61119
Coulombic:-37.4158
Bond Count [?]
All:34
Single:22
Double:12
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:469.383
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.81
LogP (Chemaxon):6.6

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Descriptor Annotations

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