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Chemical ID: 5768510

CCOc1cc(ccc1OC(=O)c2ccccc2Cl)C=NNC(=O)C(c3ccccc3)O

Chemical ID:

5768510

Name [?]:

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

SMILES [?]:

CCOc1cc(ccc1OC(=O)c2ccccc2Cl)C=NNC(=O)C(c3ccccc3)O

InChi [?]:

InChI=1/C24H21ClN2O5/c1-2-31-21-14-16(15-26-27-23(29)22(28)17-8-4-3-5-9-17)12-13-20(21)32-24(30)18-10-6-7-11-19(18)25/h3-15,22,28H,2H2,1H3,(H,27,29)

InChi Info:

AuxInfo=1/1/N:1,2,29,28,30,15,16,27,31,14,17,7,8,5,20,6,26,13,18,9,4,25,23,11,19,21,22,32,24,12,3,10/E:(4,5)(8,9)/rA:32cCCOCCCCCCOCOCCCCCCClCNNCOCCCCCCCO/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;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₄H₂₁ClN₂O₅
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	1

ZAP Information [?]

Total:	10.8742
Area:	686.865
Solvation:	-6.2974
Coulombic:	-65.7454

Bond Count [?]

All:	34
Single:	22
Double:	12
Rotors:	10
Chiral:	1
Rigid Segments:	8

Chemical Properties

Molecular Weight:	452.887
H-Bond Donors:	2
H-Bond Acceptors:	7
XLogP:	5.01
LogP (Chemaxon):	4.77

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

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Chemical Mix	Source	External ID	Descriptor	Value