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Chemical ID: 5892953
Chemical ID:
5892953
Name [?]:
5-cyclopropylcarbonylamino-2-pyrrolidin-1-yl-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1cc(c(cc1NC(=O)C2CC2)C(=O)NCC3CCCO3)N4CCCC4
InChi [?]:
InChI=1/C20H27N3O3/c24-19(14-5-6-14)22-15-7-8-18(23-9-1-2-10-23)17(12-15)20(25)21-13-16-4-3-11-26-16/h7-8,12,14,16H,1-6,9-11,13H2,(H,21,25)(H,22,24)
InChi Info:
AuxInfo=1/1/N:24,25,19,18,11,12,1,2,23,26,20,5,16,10,6,17,4,3,8,13,15,7,22,9,14,21/E:(1,2)(5,6)(9,10)/rA:26cCCCCCCNCOCCCCONCCCCCONCCCC/rB:s1;d2;s3;d4;d1s5;s6;s7;d8;s8;s10;s10s11;s4;d13;s13;s15;s16;s17;s18;s19;s17s20;s3;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O3 |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.68887 |
Area: | 590.73 |
Solvation: | -5.07937 |
Coulombic: | -54.1304 |
Bond Count [?]
All: | 29 |
Single: | 24 |
Double: | 5 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 357.447 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 1.96 |
LogP (Chemaxon): | 1.78 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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