ChemDB: Chemical Search
Download
Chemical ID: 6019651
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|