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Chemical ID: 5932800
Chemical ID:
5932800
Name [?]:
N-benzhydryl-5-[(benzyl-methyl-amino)methyl]furan-2-carboxamide
SMILES [?]:
CN(Cc1ccccc1)Cc2ccc(o2)C(=O)NC(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C27H26N2O2/c1-29(19-21-11-5-2-6-12-21)20-24-17-18-25(31-24)27(30)28-26(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-18,26H,19-20H2,1H3,(H,28,30)
InChi Info:
AuxInfo=1/1/N:1,7,23,29,6,8,22,24,28,30,5,9,21,25,27,31,12,13,3,10,4,20,26,11,14,19,16,18,2,17,15/E:(3,4)(5,6)(7,8,9,10)(11,12)(13,14,15,16)(22,23)/rA:31cCNCCCCCCCCCCCCOCONCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s2;s10;d11;s12;d13;s11s14;s14;d16;s16;s18;s19;s20;d21;s22;d23;d20s24;s19;s26;d27;s28;d29;d26s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H26N2O2 |
All Atoms: | 31 |
Heavy Atoms: | 31 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 13.1999 |
Area: | 677.645 |
Solvation: | -3.74126 |
Coulombic: | -40.6912 |
Bond Count [?]
All: | 34 |
Single: | 22 |
Double: | 12 |
Rotors: | 9 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 410.508 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 4.88 |
LogP (Chemaxon): | 4.94 |
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.
Chemical Mix | Source | External ID | Descriptor | Value |
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