Chemical ID: 7305788

c1ccc(cc1)CC(C(=O)N2CCN(CC2)Cc3ccccc3)NC(=O)c4ccccc4
Chemical ID:
7305788
Name [?]:
N-[1-(4-benzylpiperazin-1-yl)carbonyl-2-phenyl-ethyl]benzamide
SMILES [?]:
c1ccc(cc1)CC(C(=O)N2CCN(CC2)Cc3ccccc3)NC(=O)c4ccccc4
InChi [?]:
InChI=1/C27H29N3O2/c31-26(24-14-8-3-9-15-24)28-25(20-22-10-4-1-5-11-22)27(32)30-18-16-29(17-19-30)21-23-12-6-2-7-13-23/h1-15,25H,16-21H2,(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,21,30,2,6,20,22,29,31,3,5,19,23,28,32,13,15,12,16,7,17,4,18,27,8,25,9,24,14,11,26,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)/rA:32cCCCCCCCCCONCCNCCCCCCCCCNCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;s17;s18;d19;s20;d21;d18s22;s8;s24;d25;s25;s27;d28;s29;d30;d27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H29N3O2
All Atoms:61
Heavy Atoms:32
Chiral Atoms:1
ZAP Information [?]
Total:12.7853
Area:655.97
Solvation:-3.6139
Coulombic:-47.4467
Bond Count [?]
All:35
Single:24
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:427.538
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.07
LogP (Chemaxon):3.92

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Descriptor Annotations

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