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Chemical ID: 6003314
Chemical ID:
6003314
Name [?]:
2-[[2-(4-methoxyphenyl)acetyl]-(tetrahydrofuran-2-ylmethyl)amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CC2CCCO2)C(=O)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C20H25N3O4S/c1-14-13-28-20(21-14)22-18(24)12-23(11-17-4-3-9-27-17)19(25)10-15-5-7-16(26-2)8-6-15/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,28,15,14,22,26,23,25,16,20,12,10,3,2,21,24,13,8,18,5,6,7,11,9,19,27,17,4/E:(5,6)(7,8)/rA:28cCCCSCNNCOCNCCCCCOCOCCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s11;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H25N3O4S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.965 |
Area: | 628.095 |
Solvation: | -6.73737 |
Coulombic: | -55.7691 |
Bond Count [?]
All: | 30 |
Single: | 23 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 403.496 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.51 |
LogP (Chemaxon): | 1.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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