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Chemical ID: 6019616
Chemical ID:
6019616
Name [?]:
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-methoxypropylamino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
COCCCNCC(=O)N(CCc1ccc(c(c1)OC)OC)Cc2cccs2
InChi [?]:
InChI=1/C21H30N2O4S/c1-25-12-5-10-22-15-21(24)23(16-18-6-4-13-28-18)11-9-17-7-8-19(26-2)20(14-17)27-3/h4,6-8,13-14,22H,5,9-12,15-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,20,26,4,25,14,15,12,5,11,3,27,18,7,23,13,24,16,17,8,6,10,9,2,21,19,28/rA:28nCOCCCNCCONCCCCCCCCOCOCCCCCCS/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;s11;s12;s13;d14;s15;d16;d13s17;s17;s19;s16;s21;s10;s23;d24;s25;d26;s24s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30N2O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.89332 |
Area: | 683.431 |
Solvation: | -8.19245 |
Coulombic: | -47.3654 |
Bond Count [?]
All: | 29 |
Single: | 23 |
Double: | 6 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 406.54 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.51 |
LogP (Chemaxon): | 1.57 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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