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Chemical ID: 6019648
Chemical ID:
6019648
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxypropylamino)-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(CCc2ccc(c(c2)OC)OC)C(=O)CNCCCOC
InChi [?]:
InChI=1/C22H32N2O4S/c1-17-9-13-29-21(17)16-24(22(25)15-23-10-5-12-26-2)11-8-18-6-7-19(27-3)20(14-18)28-4/h6-7,9,13-14,23H,5,8,10-12,15-16H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,29,20,18,26,12,13,10,3,25,9,27,4,16,23,7,2,11,14,15,6,21,24,8,22,28,19,17,5/rA:29nCCCCSCCNCCCCCCCCOCOCCOCNCCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14;s19;s8;d21;s21;s23;s24;s25;s26;s27;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C22H32N2O4S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95259 |
Area: | 684.85 |
Solvation: | -8.16865 |
Coulombic: | -47.1932 |
Bond Count [?]
All: | 30 |
Single: | 24 |
Double: | 6 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 420.567 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.65 |
LogP (Chemaxon): | 2.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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