Chemical ID: 6014810

Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CCOC)C(=O)c4cccc(c4)Cl
Chemical ID:
6014810
Name [?]:
N-[[benzo[1,3]dioxol-5-ylmethyl-[(5-methyl-2-furyl)methyl]carbamoyl]methyl]-3-chloro-N-(2-methoxyethyl)benzamide
SMILES [?]:
Cc1ccc(o1)CN(Cc2ccc3c(c2)OCO3)C(=O)CN(CCOC)C(=O)c4cccc(c4)Cl
InChi [?]:
InChI=1/C26H27ClN2O6/c1-18-6-8-22(35-18)15-29(14-19-7-9-23-24(12-19)34-17-33-23)25(30)16-28(10-11-32-2)26(31)20-4-3-5-21(27)13-20/h3-9,12-13H,10-11,14-17H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,26,31,30,32,3,11,4,12,23,24,15,34,9,7,21,17,2,10,29,33,5,13,14,19,27,35,22,8,20,28,25,18,16,6/rA:35nCCCCCOCNCCCCCCCOCOCOCNCCOCCOCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s24;s25;s22;d27;s27;s29;d30;s31;d32;d29s33;s33;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H27ClN2O6
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:9.29987
Area:700.327
Solvation:-8.2083
Coulombic:-63.6975
Bond Count [?]
All:38
Single:28
Double:10
Rotors:12
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:498.955
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.43
LogP (Chemaxon):2.91

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