Chemical ID: 6022894

CC(C)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)CCl
Chemical ID:
6022894
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-[(2-chloroacetyl)-isopropyl-amino]-N-(2-thienylmethyl)acetamide
SMILES [?]:
CC(C)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)CCl
InChi [?]:
InChI=1/C20H23ClN2O4S/c1-14(2)23(19(24)9-21)12-20(25)22(11-16-4-3-7-28-16)10-15-5-6-17-18(8-15)27-13-26-17/h3-8,14H,9-13H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,22,21,11,12,23,15,27,9,19,5,17,2,10,20,13,14,25,6,28,8,4,26,7,18,16,24/E:(1,2)/rA:28nCCCNCCONCCCCCCCOCOCCCCCSCOCCl/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;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H23ClN2O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.0467
Area:617.641
Solvation:-5.3943
Coulombic:-49.727
Bond Count [?]
All:30
Single:23
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:422.926
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.53
LogP (Chemaxon):2.63

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Descriptor Annotations

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