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Chemical ID: 6884319
Chemical ID:
6884319
Name [?]:
N-(3-chloro-2-methyl-phenyl)-4-[(4-phenoxyphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)c2ccc(cc2)OCC(=O)Nc3ccc(cc3)Oc4ccccc4
InChi [?]:
InChI=1/C28H23ClN2O4/c1-19-25(29)8-5-9-26(19)31-28(33)20-10-14-22(15-11-20)34-18-27(32)30-21-12-16-24(17-13-21)35-23-6-3-2-4-7-23/h2-17H,18H2,1H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:1,33,32,34,5,31,35,6,4,13,17,24,28,14,16,25,27,19,2,12,23,15,30,26,7,3,20,10,8,22,9,21,11,18,29/E:(3,4)(6,7)(10,11)(12,13)(14,15)(16,17)/rA:35nCCCCCCCClNCOCCCCCCOCCONCCCCCCOCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;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: | C28H23ClN2O4 |
All Atoms: | 58 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.7131 |
Area: | 744.681 |
Solvation: | -5.9039 |
Coulombic: | -59.2294 |
Bond Count [?]
All: | 38 |
Single: | 24 |
Double: | 14 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 486.946 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 5.97 |
LogP (Chemaxon): | 5.7 |
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.
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