Chemical ID: 3954200

Cc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)C(Cc3cccc4c3cccc4)NC(=O)C
Chemical ID:
3954200
Name [?]:
4-[2-acetamido-3-(1-naphthyl)propanoyl]-N-(p-tolyl)piperazine-1-carboxamide
SMILES [?]:
Cc1ccc(cc1)NC(=O)N2CCN(CC2)C(=O)C(Cc3cccc4c3cccc4)NC(=O)C
InChi [?]:
InChI=1/C27H30N4O3/c1-19-10-12-23(13-11-19)29-27(34)31-16-14-30(15-17-31)26(33)25(28-20(2)32)18-22-8-5-7-21-6-3-4-9-24(21)22/h3-13,25H,14-18H2,1-2H3,(H,28,32)(H,29,34)
InChi Info:
AuxInfo=1/1/N:1,34,29,28,23,30,24,22,27,3,7,4,6,13,15,12,16,20,2,32,25,21,5,26,19,17,9,31,8,14,11,33,18,10/E:(10,11)(12,13)(14,15)(16,17)/rA:34cCCCCCCCNCONCCNCCCOCCCCCCCCCCCCNCOC/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s12;s13;s14;s11s15;s14;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;s28;s25d29;s19;s31;d32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H30N4O3
All Atoms:34
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:11.9685
Area:693.841
Solvation:-5.3775
Coulombic:-66.8637
Bond Count [?]
All:37
Single:26
Double:11
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:458.552
H-Bond Donors:2
H-Bond Acceptors:7
XLogP:3.34
LogP (Chemaxon):3.31

Name Annotations

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Descriptor Annotations

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