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Chemical ID: 5890138
Chemical ID:
5890138
Name [?]:
N-cyclohexyl-5-cyclopropylcarbonylamino-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)C2CC2)C(=O)NC3CCCCC3)N4CCCC4
InChi [?]:
InChI=1/C21H29N3O2/c25-20(15-8-9-15)23-17-10-11-19(24-12-4-5-13-24)18(14-17)21(26)22-16-6-2-1-3-7-16/h10-11,14-16H,1-9,12-13H2,(H,22,26)(H,23,25)
InChi Info:
AuxInfo=1/1/N:19,18,20,24,25,17,21,11,12,1,2,23,26,5,10,16,6,4,3,8,13,15,7,22,9,14/E:(2,3)(4,5)(6,7)(8,9)(12,13)/rA:26nCCCCCCNCOCCCCONCCCCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s10s11;s4;d13;s13;s15;s16;s17;s18;s19;s16s20;s3;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H29N3O2 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.9294 |
Area: | 583.923 |
Solvation: | -3.66864 |
Coulombic: | -47.2651 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.474 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 3.43 |
LogP (Chemaxon): | 3.13 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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