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Chemical ID: 5892719
Chemical ID:
5892719
Name [?]:
N-cyclopropyl-5-(2-phenoxyacetyl)amino-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
c1ccc(cc1)OCC(=O)Nc2ccc(c(c2)C(=O)NC3CC3)N4CCCC4
InChi [?]:
InChI=1/C22H25N3O3/c26-21(15-28-18-6-2-1-3-7-18)23-17-10-11-20(25-12-4-5-13-25)19(14-17)22(27)24-16-8-9-16/h1-3,6-7,10-11,14,16H,4-5,8-9,12-13,15H2,(H,23,26)(H,24,27)
InChi Info:
AuxInfo=1/1/N:1,2,6,26,27,3,5,22,23,13,14,25,28,17,8,21,12,4,16,15,9,18,11,20,24,10,19,7/E:(2,3)(4,5)(6,7)(8,9)(12,13)/rA:28nCCCCCCOCCONCCCCCCCONCCCNCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;d13;s14;d15;d12s16;s16;d18;s18;s20;s21;s21s22;s15;s24;s25;s26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H25N3O3 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.55118 |
Area: | 622.588 |
Solvation: | -6.01353 |
Coulombic: | -54.6796 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 379.452 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 3.34 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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