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Chemical ID: 6402711
Chemical ID:
6402711
Name [?]:
N-[2-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]ethyl]-3,5-dimethoxy-benzamide
SMILES [?]:
COc1cc(cc(c1)OC)C(=O)NCCN2CCN(CC2)C(=O)c3cc(cc(c3)OC)OC
InChi [?]:
InChI=1/C24H31N3O6/c1-30-19-11-17(12-20(15-19)31-2)23(28)25-5-6-26-7-9-27(10-8-26)24(29)18-13-21(32-3)16-22(14-18)33-4/h11-16H,5-10H2,1-4H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,10,31,33,14,15,17,21,18,20,4,6,29,25,8,27,5,24,3,7,28,26,11,22,13,16,19,12,23,2,9,30,32/E:(1,2)(3,4)(7,8)(9,10)(11,12)(13,14)(19,20)(21,22)(30,31)(32,33)/rA:33nCOCCCCCCOCCONCCNCCNCCCOCCCCCCOCOC/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s5;d11;s11;s13;s14;s15;s16;s17;s18;s19;s16s20;s19;d22;s22;s24;d25;s26;d27;d24s28;s28;s30;s26;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H31N3O6 |
All Atoms: | 33 |
Heavy Atoms: | 33 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.30864 |
Area: | 715.74 |
Solvation: | -8.58485 |
Coulombic: | -70.0134 |
Bond Count [?]
All: | 35 |
Single: | 27 |
Double: | 8 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 457.52 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 9 |
XLogP: | 2.09 |
LogP (Chemaxon): | 0.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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