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Chemical ID: 4159665
Chemical ID:
4159665
Name [?]:
N-(3-chloro-4-methoxy-phenyl)-4-[(2,6-diisopropylphenyl)carbamoylmethoxy]benzamide
SMILES [?]:
CC(C)c1cccc(c1NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(c(c3)Cl)OC)C(C)C
InChi [?]:
InChI=1/C28H31ClN2O4/c1-17(2)22-7-6-8-23(18(3)4)27(22)31-26(32)16-35-21-12-9-19(10-13-21)28(33)30-20-11-14-25(34-5)24(29)15-20/h6-15,17-18H,16H2,1-5H3,(H,30,33)(H,31,32)
InChi Info:
AuxInfo=1/1/N:1,3,34,35,32,6,5,7,17,19,25,16,20,26,29,13,2,33,18,24,15,4,8,28,27,11,9,21,30,23,10,12,22,31,14/E:(1,2,3,4)(7,8)(9,10)(12,13)(17,18)(22,23)/rA:35nCCCCCCCCCNCOCOCCCCCCCONCCCCCCClOCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s18;d21;s21;s23;s24;d25;s26;d27;d24s28;s28;s27;s31;s8;s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H31ClN2O4 |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.3864 |
Area: | 761.302 |
Solvation: | -6.64617 |
Coulombic: | -58.0152 |
Bond Count [?]
All: | 37 |
Single: | 26 |
Double: | 11 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 495.01 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 6.57 |
LogP (Chemaxon): | 5.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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