Chemical ID: 6023174

c1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)N(Cc3ccc4c(c3)OCO4)Cc5cccs5
Chemical ID:
6023174
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-thienylmethyl)carbamoyl)methyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)C(=O)N(CC2CCCO2)CC(=O)N(Cc3ccc4c(c3)OCO4)Cc5cccs5
InChi [?]:
InChI=1/C27H28N2O5S/c30-26(18-29(16-22-8-4-12-32-22)27(31)21-6-2-1-3-7-21)28(17-23-9-5-13-35-23)15-20-10-11-24-25(14-20)34-19-33-24/h1-3,5-7,9-11,13-14,22H,4,8,12,15-19H2
InChi Info:
AuxInfo=1/0/N:1,2,6,13,33,3,5,12,32,22,23,14,34,26,20,10,30,16,28,21,4,11,31,24,25,17,7,19,9,18,8,15,29,27,35/E:(2,3)(6,7)/rA:35cCCCCCCCONCCCCCOCCONCCCCCCCOCOCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s9;s10;s11;s12;s13;s11s14;s9;s16;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s25;s27;s24s28;s19;s30;d31;s32;d33;s31s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H28N2O5S
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.0888
Area:675.351
Solvation:-5.79496
Coulombic:-60.9443
Bond Count [?]
All:39
Single:29
Double:10
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:492.588
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:3.47
LogP (Chemaxon):3.24

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