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Chemical ID: 5454432

c1ccc(cc1)COc2ccccc2C(=O)Nc3ncc(s3)Cc4ccc(c(c4)Cl)Cl

Chemical ID:

5454432

Name [?]:

2-benzyloxy-N-[5-[(3,4-dichlorophenyl)methyl]thiazol-2-yl]-benzamide

SMILES [?]:

c1ccc(cc1)COc2ccccc2C(=O)Nc3ncc(s3)Cc4ccc(c(c4)Cl)Cl

InChi [?]:

InChI=1/C24H18Cl2N2O2S/c25-20-11-10-17(13-21(20)26)12-18-14-27-24(31-18)28-23(29)19-8-4-5-9-22(19)30-15-16-6-2-1-3-7-16/h1-11,13-14H,12,15H2,(H,27,28,29)

InChi Info:

AuxInfo=1/1/N:1,2,6,12,11,3,5,13,10,25,26,23,29,20,7,4,24,21,14,27,28,9,15,18,31,30,19,17,16,8,22/E:(2,3)(6,7)/rA:31nCCCCCCCOCCCCCCCONCNCCSCCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s11;d12;d9s13;s14;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:	12.144
Area:	706.703
Solvation:	-5.52363
Coulombic:	-36.349

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

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value