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Chemical ID: 5916224
Chemical ID:
5916224
Name [?]:
N-benzyl-2-[(2-methoxyacetyl)-(2-methoxyethyl)amino]-N-[(5-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccc(s1)CN(Cc2ccccc2)C(=O)CN(CCOC)C(=O)COC
InChi [?]:
InChI=1/C21H28N2O4S/c1-17-9-10-19(28-17)14-23(13-18-7-5-4-6-8-18)20(24)15-22(11-12-26-2)21(25)16-27-3/h4-10H,11-16H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,23,28,13,12,14,11,15,3,4,20,21,9,7,18,26,2,10,5,16,24,19,8,17,25,22,27,6/E:(5,6)(7,8)/rA:28nCCCCCSCNCCCCCCCCOCNCCOCCOCOC/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s8;d16;s16;s18;s19;s20;s21;s22;s19;d24;s24;s26;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H28N2O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.07186 |
Area: | 644.603 |
Solvation: | -7.04321 |
Coulombic: | -49.8551 |
Bond Count [?]
All: | 29 |
Single: | 22 |
Double: | 7 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 404.524 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 0.79 |
LogP (Chemaxon): | 1.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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