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Chemical ID: 4128457

c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)C3CCCCC3

Chemical ID:

4128457

Name [?]:

[4-(cyclohexylcarbonylaminoiminomethyl)phenyl] 3-phenylprop-2-enoate

SMILES [?]:

c1ccc(cc1)C=CC(=O)Oc2ccc(cc2)C=NNC(=O)C3CCCCC3

InChi [?]:

InChI=1/C23H24N2O3/c26-22(16-13-18-7-3-1-4-8-18)28-21-14-11-19(12-15-21)17-24-25-23(27)20-9-5-2-6-10-20/h1,3-4,7-8,11-17,20H,2,5-6,9-10H2,(H,25,27)

InChi Info:

AuxInfo=1/1/N:1,26,2,6,25,27,3,5,24,28,14,16,7,13,17,8,18,4,15,23,12,9,21,19,20,10,22,11/E:(3,4)(5,6)(7,8)(9,10)(11,12)(14,15)/rA:28nCCCCCCCCCOOCCCCCCCNNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;w7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s15;w18;s19;s20;d21;s21;s23;s24;s25;s26;s23s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₄N₂O₃
All Atoms:	28
Heavy Atoms:	28
Chiral Atoms:	0

ZAP Information [?]

Total:	10.8801
Area:	598.072
Solvation:	-4.07171
Coulombic:	-39.6848

Bond Count [?]

All:	30
Single:	20
Double:	10
Rotors:	8
Chiral:	2
Rigid Segments:	7

Chemical Properties

Molecular Weight:	376.448
H-Bond Donors:	1
H-Bond Acceptors:	5
XLogP:	5.96
LogP (Chemaxon):	5.21

Name Annotations

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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