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Chemical ID: 6883822
Chemical ID:
6883822
Name [?]:
N-(2,6-diisopropylphenyl)-4-(1-naphthylcarbamoylmethoxy)benzamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)c2ccc(cc2)OCC(=O)Nc3cccc4c3cccc4)C(C)C
InChi [?]:
InChI=1/C31H32N2O3/c1-20(2)25-12-8-13-26(21(3)4)30(25)33-31(35)23-15-17-24(18-16-23)36-19-29(34)32-28-14-7-10-22-9-5-6-11-27(22)28/h5-18,20-21H,19H2,1-4H3,(H,32,34)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,3,35,36,32,31,26,6,33,27,30,5,7,25,14,18,15,17,20,2,34,28,13,16,4,8,29,24,21,9,11,23,10,22,12,19/E:(1,2,3,4)(12,13)(15,16)(17,18)(20,21)(25,26)/rA:36nCCCCCCCCCNCOCCCCCCOCCONCCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;d21;s21;s23;s24;d25;s26;d27;d24s28;s29;d30;s31;s28d32;s8;s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C31H32N2O3 |
All Atoms: | 68 |
Heavy Atoms: | 36 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.3982 |
Area: | 747.923 |
Solvation: | -5.29983 |
Coulombic: | -52.6829 |
Bond Count [?]
All: | 39 |
Single: | 26 |
Double: | 13 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 480.597 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 7.3 |
LogP (Chemaxon): | 6.02 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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