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Chemical ID: 6650241

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)C=Cc2ccccc2)Oc3ccc(cc3)Cl

Chemical ID:

6650241

Name [?]:

[4-[2-(4-chlorophenoxy)propanoylaminoiminomethyl]phenyl] 3-phenylprop-2-enoate

SMILES [?]:

CC(C(=O)NN=Cc1ccc(cc1)OC(=O)C=Cc2ccccc2)Oc3ccc(cc3)Cl

InChi [?]:

InChI=1/C25H21ClN2O4/c1-18(31-22-14-10-21(26)11-15-22)25(30)28-27-17-20-7-12-23(13-8-20)32-24(29)16-9-19-5-3-2-4-6-19/h2-18H,1H3,(H,28,30)

InChi Info:

AuxInfo=1/1/N:1,22,21,23,20,24,9,13,18,28,30,10,12,27,31,17,7,2,19,8,29,26,11,15,3,32,6,5,16,4,25,14/E:(3,4)(5,6)(7,8)(10,11)(12,13)(14,15)/rA:32cCCCONNCCCCCCCOCOCCCCCCCCOCCCCCCCl/rB:s1;s2;d3;s3;s5;w6;s7;s8;d9;s10;d11;d8s12;s11;s14;d15;s15;w17;s18;s19;d20;s21;d22;d19s23;s2;s25;s26;d27;s28;d29;d26s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₁ClN₂O₄
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	11.1783
Area:	702.57
Solvation:	-6.38593
Coulombic:	-47.6138

Bond Count [?]

All:	34
Single:	21
Double:	13
Rotors:	10
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	448.898
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	6.6
LogP (Chemaxon):	5.89

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