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Chemical ID: 4519347

c1ccc(cc1)C(c2ccccc2)(C(=O)NN=Cc3cccc(c3)OC(=O)c4ccccc4Cl)O

Chemical ID:

4519347

Name [?]:

[3-[(2-hydroxy-2,2-diphenyl-acetyl)aminoiminomethyl]phenyl] 2-chlorobenzoate

SMILES [?]:

c1ccc(cc1)C(c2ccccc2)(C(=O)NN=Cc3cccc(c3)OC(=O)c4ccccc4Cl)O

InChi [?]:

InChI=1/C28H21ClN2O4/c29-25-17-8-7-16-24(25)26(32)35-23-15-9-10-20(18-23)19-30-31-27(33)28(34,21-11-3-1-4-12-21)22-13-5-2-6-14-22/h1-19,34H,(H,31,33)

InChi Info:

AuxInfo=1/1/N:1,11,2,6,10,12,30,31,21,20,3,5,9,13,22,29,32,24,18,19,4,8,23,28,33,26,14,7,34,17,16,27,15,35,25/E:(1,2)(3,4,5,6)(11,12,13,14)(21,22)/rA:35nCCCCCCCCCCCCCCONNCCCCCCCOCOCCCCCCClO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;w17;s18;s19;d20;s21;d22;d19s23;s23;s25;d26;s26;s28;d29;s30;d31;d28s32;s33;s7;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₁ClN₂O₄
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	13.636
Area:	716.024
Solvation:	-4.26459
Coulombic:	-63.0415

Bond Count [?]

All:	38
Single:	23
Double:	15
Rotors:	9
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	484.93
H-Bond Donors:	2
H-Bond Acceptors:	6
XLogP:	6.91
LogP (Chemaxon):	6.33

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