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Chemical ID: 6875620
Chemical ID:
6875620
Name [?]:
4-[(3-chloro-2-methyl-phenyl)carbamoylmethoxy]-N-(2,6-diisopropylphenyl)-benzamide
SMILES [?]:
Cc1c(cccc1Cl)NC(=O)COc2ccc(cc2)C(=O)Nc3c(cccc3C(C)C)C(C)C
InChi [?]:
InChI=1/C28H31ClN2O3/c1-17(2)22-8-6-9-23(18(3)4)27(22)31-28(33)20-12-14-21(15-13-20)34-16-26(32)30-25-11-7-10-24(29)19(25)5/h6-15,17-18H,16H2,1-5H3,(H,30,32)(H,31,33)
InChi Info:
AuxInfo=1/1/N:30,31,33,34,1,26,5,27,25,6,4,16,18,15,19,12,29,32,2,17,14,28,24,7,3,10,23,20,8,9,22,11,21,13/E:(1,2,3,4)(8,9)(12,13)(14,15)(17,18)(22,23)/rA:34nCCCCCCCClNCOCOCCCCCCCONCCCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s3;s9;d10;s10;s12;s13;s14;d15;s16;d17;d14s18;s17;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;s29;s29;s24;s32;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H31ClN2O3 |
All Atoms: | 65 |
Heavy Atoms: | 34 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.5438 |
Area: | 744.211 |
Solvation: | -5.06148 |
Coulombic: | -51.9579 |
Bond Count [?]
All: | 36 |
Single: | 25 |
Double: | 11 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 479.01 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 6.88 |
LogP (Chemaxon): | 5.35 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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