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Chemical ID: 5893721
Chemical ID:
5893721
Name [?]:
5-[(4-cyanophenyl)carbamoylamino]-2-(1-piperidyl)-N-propyl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)Nc3ccc(cc3)C#N
InChi [?]:
InChI=1/C23H27N5O2/c1-2-12-25-22(29)20-15-19(10-11-21(20)28-13-4-3-5-14-28)27-23(30)26-18-8-6-17(16-24)7-9-18/h6-11,15H,2-5,12-14H2,1H3,(H,25,29)(H2,26,27,30)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,25,27,24,28,10,11,3,14,18,8,29,26,23,9,7,12,5,20,30,4,22,19,13,6,21/E:(4,5)(6,7)(8,9)(13,14)/rA:30nCCCNCOCCCCCCNCCCCCNCONCCCCCCCN/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s16;s13s17;s9;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;t29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H27N5O2 |
All Atoms: | 30 |
Heavy Atoms: | 30 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.4241 |
Area: | 667.088 |
Solvation: | -4.25311 |
Coulombic: | -64.6571 |
Bond Count [?]
All: | 32 |
Single: | 23 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 405.493 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 3.46 |
LogP (Chemaxon): | 4.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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