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Chemical ID: 5894096
Chemical ID:
5894096
Name [?]:
5-(m-tolylcarbamoylamino)-N-propyl-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
CCCNC(=O)c1cc(ccc1N2CCCC2)NC(=O)Nc3cccc(c3)C
InChi [?]:
InChI=1/C22H28N4O2/c1-3-11-23-21(27)19-15-18(9-10-20(19)26-12-4-5-13-26)25-22(28)24-17-8-6-7-16(2)14-17/h6-10,14-15H,3-5,11-13H2,1-2H3,(H,23,27)(H2,24,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,2,15,16,24,25,23,10,11,3,14,17,27,8,26,22,9,7,12,5,19,4,21,18,13,6,20/E:(4,5)(12,13)/rA:28nCCCNCOCCCCCCNCCCCNCONCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;d8;s9;d10;d7s11;s12;s13;s14;s15;s13s16;s9;s18;d19;s19;s21;s22;d23;s24;d25;d22s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H28N4O2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.876 |
Area: | 628.512 |
Solvation: | -3.83681 |
Coulombic: | -61.6984 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 380.483 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 3.82 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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