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Chemical ID: 5894037
Chemical ID:
5894037
Name [?]:
5-(cyclohexylcarbamoylamino)-N-phenethyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2cc(ccc2N3CCCC3)NC(=O)NC4CCCCC4
InChi [?]:
InChI=1/C26H34N4O2/c31-25(27-16-15-20-9-3-1-4-10-20)23-19-22(13-14-24(23)30-17-7-8-18-30)29-26(32)28-21-11-5-2-6-12-21/h1,3-4,9-10,13-14,19,21H,2,5-8,11-12,15-18H2,(H,27,31)(H2,28,29,32)
InChi Info:
AuxInfo=1/1/N:1,30,2,6,29,31,20,21,3,5,28,32,15,16,7,8,19,22,13,4,27,14,12,17,10,24,9,26,23,18,11,25/E:(3,4)(5,6)(7,8)(9,10)(11,12)(17,18)/rA:32nCCCCCCCCNCOCCCCCCNCCCCNCONCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;s18;s19;s20;s18s21;s14;s23;d24;s24;s26;s27;s28;s29;s30;s27s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34N4O2 |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.6075 |
Area: | 702.536 |
Solvation: | -3.95595 |
Coulombic: | -63.4608 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 434.574 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 4.73 |
LogP (Chemaxon): | 4.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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