Chemical ID: 6646767

Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(=O)Nc3cccc(c3C)Cl
Chemical ID:
6646767
Name [?]:
[4-[[(3-chloro-2-methyl-phenyl)carbamoylformyl]aminoiminomethyl]phenyl] 4-methylbenzoate
SMILES [?]:
Cc1ccc(cc1)C(=O)Oc2ccc(cc2)C=NNC(=O)C(=O)Nc3cccc(c3C)Cl
InChi [?]:
InChI=1/C24H20ClN3O4/c1-15-6-10-18(11-7-15)24(31)32-19-12-8-17(9-13-19)14-26-28-23(30)22(29)27-21-5-3-4-20(25)16(21)2/h3-14H,1-2H3,(H,27,29)(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,31,27,28,26,3,7,13,15,4,6,12,16,17,2,30,14,5,11,29,25,22,20,8,32,18,24,19,23,21,9,10/E:(6,7)(8,9)(10,11)(12,13)/rA:32nCCCCCCCCOOCCCCCCCNNCOCONCCCCCCCCl/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s14;w17;s18;s19;d20;s20;d22;s22;s24;s25;d26;s27;d28;d25s29;s30;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20ClN3O4
All Atoms:32
Heavy Atoms:32
Chiral Atoms:0
ZAP Information [?]
Total:14.0605
Area:703.095
Solvation:-3.51684
Coulombic:-65.9781
Bond Count [?]
All:34
Single:21
Double:13
Rotors:9
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:449.886
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:5.81
LogP (Chemaxon):5.01

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Descriptor Annotations

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