Chemical ID: 4159665

CC(C)c1cccc(c1NC(=O)COc2ccc(cc2)C(=O)Nc3ccc(c(c3)Cl)OC)C(C)C
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

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue