Chemical ID: 6022951

CC(C)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)N(C)C
Chemical ID:
6022951
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-(dimethylcarbamoyl-isopropyl-amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)N(C)C
InChi [?]:
InChI=1/C21H27N3O4S/c1-15(2)24(21(26)22(3)4)13-20(25)23(12-17-6-5-9-29-17)11-16-7-8-18-19(10-16)28-14-27-18/h5-10,15H,11-14H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,28,29,22,21,11,12,23,15,9,19,5,17,2,10,20,13,14,6,25,27,8,4,7,26,18,16,24/E:(1,2)(3,4)/rA:29nCCCNCCONCCCCCCCOCOCCCCCSCONCC/rB:s1;s2;s2;s4;s5;d6;s6;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;s19;d20;s21;d22;s20s23;s4;d25;s25;s27;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H27N3O4S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.3555
Area:601.068
Solvation:-4.67119
Coulombic:-59.5056
Bond Count [?]
All:31
Single:24
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:417.523
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:2.07
LogP (Chemaxon):2.26

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Descriptor Annotations

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