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Chemical ID: 5976128
Chemical ID:
5976128
Name [?]:
4-butyl-N-(4-dimethylamino-3-pyrrolidin-1-ylcarbonyl-phenyl)-benzamide
SMILES [?]:
CCCCc1ccc(cc1)C(=O)Nc2ccc(c(c2)C(=O)N3CCCC3)N(C)C
InChi [?]:
InChI=1/C24H31N3O2/c1-4-5-8-18-9-11-19(12-10-18)23(28)25-20-13-14-22(26(2)3)21(17-20)24(29)27-15-6-7-16-27/h9-14,17H,4-8,15-16H2,1-3H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,28,29,2,3,24,25,4,6,10,7,9,15,16,23,26,19,5,8,14,18,17,11,20,13,27,22,12,21/E:(2,3)(6,7)(9,10)(11,12)(15,16)/rA:29nCCCCCCCCCCCONCCCCCCCONCCCCNCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;d11;s11;s13;s14;d15;s16;d17;d14s18;s18;d20;s20;s22;s23;s24;s22s25;s17;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N3O2 |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.594 |
Area: | 655.629 |
Solvation: | -3.7967 |
Coulombic: | -45.8096 |
Bond Count [?]
All: | 31 |
Single: | 23 |
Double: | 8 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 393.522 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 5.29 |
LogP (Chemaxon): | 4.49 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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