Chemical ID: 6019651

Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CNC(C)C
Chemical ID:
6019651
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-isopropylamino-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc3c(c2)OCO3)C(=O)CNC(C)C
InChi [?]:
InChI=1/C19H24N2O3S/c1-13(2)20-9-19(22)21(11-18-14(3)6-7-25-18)10-15-4-5-16-17(8-15)24-12-23-16/h4-8,13,20H,9-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:24,25,1,11,12,3,4,15,21,9,7,17,23,2,10,13,14,6,19,22,8,20,18,16,5/E:(1,2)/rA:25nCCCCSCCNCCCCCCCOCOCOCNCCC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s14;s16;s13s17;s8;d19;s19;s21;s22;s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.81716
Area:569.226
Solvation:-4.4135
Coulombic:-42.349
Bond Count [?]
All:27
Single:21
Double:6
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:360.472
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.4
LogP (Chemaxon):2.84

Name Annotations

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Descriptor Annotations

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