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Chemical ID: 7266923

COc1ccc(cc1OC)CNC(=O)C(Cc2ccccc2)NC(=O)c3ccc(cc3)Cl

Chemical ID:

7266923

Name [?]:

4-chloro-N-[1-[(3,4-dimethoxyphenyl)methylcarbamoyl]-2-phenyl-ethyl]-benzamide

SMILES [?]:

COc1ccc(cc1OC)CNC(=O)C(Cc2ccccc2)NC(=O)c3ccc(cc3)Cl

InChi [?]:

InChI=1/C25H25ClN2O4/c1-31-22-13-8-18(15-23(22)32-2)16-27-25(30)21(14-17-6-4-3-5-7-17)28-24(29)19-9-11-20(26)12-10-19/h3-13,15,21H,14,16H2,1-2H3,(H,27,30)(H,28,29)

InChi Info:

AuxInfo=1/1/N:1,10,20,19,21,18,22,5,27,31,28,30,4,16,7,11,17,6,26,29,15,3,8,24,13,32,12,23,25,14,2,9/E:(4,5)(6,7)(9,10)(11,12)/rA:32cCOCCCCCCOCCNCOCCCCCCCCNCOCCCCCCCl/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;s16;s17;d18;s19;d20;d17s21;s15;s23;d24;s24;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₅ClN₂O₄
All Atoms:	57
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8302
Area:	696.318
Solvation:	-6.57774
Coulombic:	-59.8474

Bond Count [?]

All:	34
Single:	23
Double:	11
Rotors:	11
Chiral:	0
Rigid Segments:	9

Chemical Properties

Molecular Weight:	452.93
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	4.46
LogP (Chemaxon):	3.88

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

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Chemical Mix	Source	External ID	Descriptor	Value