Chemical ID: 5892900

c1cc(cnc1)CNC(=O)c2cc(ccc2N3CCCC3)NC(=O)COc4ccc(cc4)Cl
Chemical ID:
5892900
Name [?]:
5-[2-(4-chlorophenoxy)acetyl]amino-N-(3-pyridylmethyl)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1cc(cnc1)CNC(=O)c2cc(ccc2N3CCCC3)NC(=O)COc4ccc(cc4)Cl
InChi [?]:
InChI=1/C25H25ClN4O3/c26-19-5-8-21(9-6-19)33-17-24(31)29-20-7-10-23(30-12-1-2-13-30)22(14-20)25(32)28-16-18-4-3-11-27-15-18/h3-11,14-15H,1-2,12-13,16-17H2,(H,28,32)(H,29,31)
InChi Info:
AuxInfo=1/1/N:19,20,1,2,29,31,14,28,32,15,6,18,21,12,4,7,25,3,30,13,27,11,16,23,9,33,5,8,22,17,24,10,26/E:(1,2)(5,6)(8,9)(12,13)/rA:33nCCCCNCCNCOCCCCCCNCCCCNCOCOCCCCCCCl/rB:s1;d2;s3;d4;d1s5;s3;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s17;s18;s19;s17s20;s13;s22;d23;s23;s25;s26;s27;d28;s29;d30;d27s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C25H25ClN4O3
All Atoms:33
Heavy Atoms:33
Chiral Atoms:0
ZAP Information [?]
Total:11.2817
Area:724.93
Solvation:-6.84152
Coulombic:-59.3134
Bond Count [?]
All:36
Single:25
Double:11
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:464.944
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.88
LogP (Chemaxon):3.35

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Descriptor Annotations

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