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Chemical ID: 4128381

c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)C(=O)Nc3cc(ccc3Cl)Cl

Chemical ID:

4128381

Name [?]:

[4-[[(2,5-dichlorophenyl)carbamoylformyl]aminoiminomethyl]phenyl] 3-phenylprop-2-enoate

SMILES [?]:

c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)C(=O)Nc3cc(ccc3Cl)Cl

InChi [?]:

InChI=1/C24H17Cl2N3O4/c25-18-9-12-20(26)21(14-18)28-23(31)24(32)29-27-15-17-6-10-19(11-7-17)33-22(30)13-8-16-4-2-1-3-5-16/h1-15H,(H,28,31)(H,29,32)

InChi Info:

AuxInfo=1/1/N:1,2,6,3,5,14,16,7,29,13,17,30,8,27,18,4,15,28,12,31,26,9,23,21,33,32,19,25,20,10,24,22,11/E:(2,3)(4,5)(6,7)(10,11)/rA:33nCCCCCCCCCOOCCCCCCCNNCOCONCCCCCCClCl/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₁₇Cl₂N₃O₄
All Atoms:	33
Heavy Atoms:	33
Chiral Atoms:	0

ZAP Information [?]

Total:	13.2004
Area:	690.66
Solvation:	-4.06609
Coulombic:	-65.7125

Bond Count [?]

All:	35
Single:	21
Double:	14
Rotors:	10
Chiral:	2
Rigid Segments:	8

Chemical Properties

Molecular Weight:	482.315
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	6.04
LogP (Chemaxon):	5.19

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