Chemical ID: 6022972

CC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C4CC4
Chemical ID:
6022972
Name [?]:
N-[(benzo[1,3]dioxol-5-ylmethyl-(2-thienylmethyl)carbamoyl)methyl]-N-cyclopropyl-acetamide
SMILES [?]:
CC(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C4CC4
InChi [?]:
InChI=1/C20H22N2O4S/c1-14(23)22(16-5-6-16)12-20(24)21(11-17-3-2-8-27-17)10-15-4-7-18-19(9-15)26-13-25-18/h2-4,7-9,16H,5-6,10-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,21,11,26,27,12,23,15,9,19,5,17,2,10,25,20,13,14,6,8,4,3,7,18,16,24/E:(5,6)/rA:27nCCONCCONCCCCCCCOCOCCCCCSCCC/rB:s1;d2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;s19;d20;s21;d22;s20s23;s4;s25;s25s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H22N2O4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:9.11987
Area:572.249
Solvation:-5.18634
Coulombic:-48.5308
Bond Count [?]
All:30
Single:23
Double:7
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:386.466
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:1.95
LogP (Chemaxon):1.68

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