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Chemical ID: 6415330

CCOc1cc(ccc1OC(=O)c2ccccc2Cl)C=NNC(=O)Cc3cccc4c3cccc4

Chemical ID:

6415330

Name [?]:

[2-ethoxy-4-[[2-(1-naphthyl)acetyl]aminoiminomethyl]phenyl] 2-chlorobenzoate

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccccc2Cl)C=NNC(=O)Cc3cccc4c3cccc4

InChi [?]:

InChI=1/C28H23ClN2O4/c1-2-34-26-16-19(14-15-25(26)35-28(33)23-12-5-6-13-24(23)29)18-30-31-27(32)17-21-10-7-9-20-8-3-4-11-22(20)21/h3-16,18H,2,17H2,1H3,(H,31,32)

InChi Info:

AuxInfo=1/1/N:1,2,34,33,15,16,28,35,29,27,32,14,17,7,8,5,25,20,6,30,26,31,13,18,9,4,23,11,19,21,22,24,12,3,10/rA:35nCCOCCCCCCOCOCCCCCCClCNNCOCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s18;s6;w20;s21;s22;d23;s23;s25;s26;d27;s28;d29;d26s30;s31;d32;s33;s30d34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₈H₂₃ClN₂O₄
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	0

ZAP Information [?]

Total:	12.1912
Area:	734.797
Solvation:	-6.17871
Coulombic:	-47.6119

Bond Count [?]

All:	38
Single:	24
Double:	14
Rotors:	10
Chiral:	1
Rigid Segments:	7

Chemical Properties

Molecular Weight:	486.946
H-Bond Donors:	1
H-Bond Acceptors:	6
XLogP:	7.27
LogP (Chemaxon):	6.2

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

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value