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Chemical ID: 5895406
Chemical ID:
5895406
Name [?]:
5-(2,2-diphenylacetyl)amino-N-(3-methoxypropyl)-2-(1-piperidyl)benzamide
SMILES [?]:
COCCCNC(=O)c1cc(ccc1N2CCCCC2)NC(=O)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C30H35N3O3/c1-36-21-11-18-31-29(34)26-22-25(16-17-27(26)33-19-9-4-10-20-33)32-30(35)28(23-12-5-2-6-13-23)24-14-7-3-8-15-24/h2-3,5-8,12-17,22,28H,4,9-11,18-21H2,1H3,(H,31,34)(H,32,35)
InChi Info:
AuxInfo=1/1/N:1,28,34,18,27,29,33,35,17,19,4,26,30,32,36,12,13,5,16,20,3,10,25,31,11,9,14,24,7,22,6,21,15,8,23,2/E:(2,3)(5,6,7,8)(9,10)(12,13,14,15)(19,20)(23,24)/rA:36nCOCCCNCOCCCCCCNCCCCCNCOCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s14;s15;s16;s17;s18;s15s19;s11;s21;d22;s22;s24;s25;d26;s27;d28;d25s29;s24;s31;d32;s33;d34;d31s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H35N3O3 |
All Atoms: | 36 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.2694 |
Area: | 766.463 |
Solvation: | -5.89216 |
Coulombic: | -58.0869 |
Bond Count [?]
All: | 39 |
Single: | 28 |
Double: | 11 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 485.617 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.12 |
LogP (Chemaxon): | 4.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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