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Chemical ID: 5889364
Chemical ID:
5889364
Name [?]:
5-(4-methylbenzoyl)amino-N-(3-morpholinopropyl)-2-pyrrolidin-1-yl-benzamide
SMILES [?]:
Cc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)NCCCN3CCOCC3)N4CCCC4
InChi [?]:
InChI=1/C26H34N4O3/c1-20-5-7-21(8-6-20)25(31)28-22-9-10-24(30-13-2-3-14-30)23(19-22)26(32)27-11-4-12-29-15-17-33-18-16-29/h5-10,19H,2-4,11-18H2,1H3,(H,27,32)(H,28,31)
InChi Info:
AuxInfo=1/1/N:1,31,32,21,3,7,4,6,12,13,20,22,30,33,24,28,25,27,16,2,5,11,15,14,8,17,19,10,23,29,9,18,26/E:(2,3)(5,6)(7,8)(13,14)(15,16)(17,18)/rA:33nCCCCCCCCONCCCCCCCONCCCNCCOCCNCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s8;s10;s11;d12;s13;d14;d11s15;s15;d17;s17;s19;s20;s21;s22;s23;s24;s25;s26;s23s27;s14;s29;s30;s31;s29s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H34N4O3 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.404 |
Area: | 721.408 |
Solvation: | -5.63118 |
Coulombic: | -61.7082 |
Bond Count [?]
All: | 36 |
Single: | 28 |
Double: | 8 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 450.573 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 3.36 |
LogP (Chemaxon): | 2.75 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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