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Chemical ID: 6884276
Chemical ID:
6884276
Name [?]:
N-phenethyl-4-[(4-phenoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
c1ccc(cc1)CCNC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C29H26N2O4/c32-28(31-24-13-17-27(18-14-24)35-26-9-5-2-6-10-26)21-34-25-15-11-23(12-16-25)29(33)30-20-19-22-7-3-1-4-8-22/h1-18H,19-21H2,(H,30,33)(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,33,2,6,32,34,3,5,31,35,13,17,24,28,14,16,25,27,7,8,19,4,12,23,15,30,26,20,10,9,22,21,11,18,29/E:(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)/rA:35nCCCCCCCCNCOCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;s19;d20;s20;s22;s23;d24;s25;d26;d23s27;s26;s29;s30;d31;s32;d33;d30s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C29H26N2O4 |
All Atoms: | 61 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7813 |
Area: | 758.988 |
Solvation: | -6.1934 |
Coulombic: | -60.1583 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 466.528 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.43 |
LogP (Chemaxon): | 5.23 |
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
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