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Chemical ID: 6024656
Chemical ID:
6024656
Name [?]:
N-[(4-fluorophenyl)methyl]-2-[2-methoxyethyl-[2-(4-methoxyphenyl)acetyl]-amino]-N-[(3-methyl-2-thienyl)methyl]acetamide
SMILES [?]:
Cc1ccsc1CN(Cc2ccc(cc2)F)C(=O)CN(CCOC)C(=O)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C27H31FN2O4S/c1-20-12-15-35-25(20)18-30(17-22-4-8-23(28)9-5-22)27(32)19-29(13-14-33-2)26(31)16-21-6-10-24(34-3)11-7-21/h4-12,15H,13-14,16-19H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,35,11,15,29,33,12,14,30,32,3,21,22,4,27,9,7,19,2,28,10,13,31,6,25,17,16,20,8,26,18,23,34,5/E:(4,5)(6,7)(8,9)(10,11)/rA:35nCCCCSCCNCCCCCCCFCOCNCCOCCOCCCCCCCOC/rB:s1;s2;d3;s4;d2s5;s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s13;s8;d17;s17;s19;s20;s21;s22;s23;s20;d25;s25;s27;s28;d29;s30;d31;d28s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C27H31FN2O4S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.5976 |
Area: | 730.567 |
Solvation: | -7.66652 |
Coulombic: | -52.5229 |
Bond Count [?]
All: | 37 |
Single: | 27 |
Double: | 10 |
Rotors: | 14 |
Chiral: | 0 |
Rigid Segments: | 10 |
Chemical Properties
Molecular Weight: | 498.611 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 6 |
XLogP: | 3.21 |
LogP (Chemaxon): | 3.63 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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