Chemical ID: 6019650

Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CNCC(C)C
Chemical ID:
6019650
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-isobutylamino-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CNCC(C)C
InChi [?]:
InChI=1/C20H26N2O3S/c1-14(2)9-21-10-20(23)22(12-19-15(3)6-7-26-19)11-16-4-5-17-18(8-16)25-13-24-17/h4-8,14,21H,9-13H2,1-3H3
InChi Info:
AuxInfo=1/0/N:25,26,1,11,12,3,4,15,23,21,9,7,17,24,2,10,13,14,6,19,22,8,20,18,16,5/E:(1,2)/rA:26nCCCCSCCNCCCCCCCOCOCOCNCCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H26N2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.4597
Area:595.171
Solvation:-4.41955
Coulombic:-42.8758
Bond Count [?]
All:28
Single:22
Double:6
Rotors:9
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:374.498
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.6
LogP (Chemaxon):3.3

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Descriptor Annotations

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