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Chemical ID: 5896188
Chemical ID:
5896188
Name [?]:
5-(2-chloropropanoylamino)-N-(3-methoxypropyl)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CC(C(=O)Nc1ccc(c(c1)C(=O)NCCCOC)N2CCCC2)Cl
InChi [?]:
InChI=1/C18H26ClN3O3/c1-13(19)17(23)21-14-6-7-16(22-9-3-4-10-22)15(12-14)18(24)20-8-5-11-25-2/h6-7,12-13H,3-5,8-11H2,1-2H3,(H,20,24)(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,19,22,23,16,7,8,15,21,24,17,11,2,6,10,9,3,12,25,14,5,20,4,13,18/E:(3,4)(9,10)/rA:25cCCCONCCCCCCCONCCCOCNCCCCCl/rB:s1;s2;d3;s3;s5;s6;d7;s8;d9;d6s10;s10;d12;s12;s14;s15;s16;s17;s18;s9;s20;s21;s22;s20s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H26ClN3O3 |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.73489 |
Area: | 612.818 |
Solvation: | -5.58556 |
Coulombic: | -54.5488 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 367.87 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.09 |
LogP (Chemaxon): | 1.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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