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Chemical ID: 6023099
Chemical ID:
6023099
Name [?]:
N-(benzo[1,3]dioxol-5-ylmethyl)-2-[[2-(4-fluorophenyl)acetyl]-(2-methoxyethyl)amino]-N-(2-thienylmethyl)acetamide
SMILES [?]:
COCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc3cccs3)C(=O)Cc4ccc(cc4)F
InChi [?]:
InChI=1/C26H27FN2O5S/c1-32-11-10-28(25(30)14-19-4-7-21(27)8-5-19)17-26(31)29(16-22-3-2-12-35-22)15-20-6-9-23-24(13-20)34-18-33-23/h2-9,12-13H,10-11,14-18H2,1H3
InChi Info:
AuxInfo=1/0/N:1,23,22,30,34,12,31,33,13,4,3,24,16,28,10,20,6,18,29,11,32,21,14,15,26,7,35,5,9,27,8,2,19,17,25/E:(4,5)(7,8)/rA:35nCOCCNCCONCCCCCCCOCOCCCCCSCOCCCCCCCF/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;d14;d11s15;s15;s17;s14s18;s9;s20;d21;s22;d23;s21s24;s5;d26;s26;s28;s29;d30;s31;d32;d29s33;s32;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H27FN2O5S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.6587 |
Area: | 723.715 |
Solvation: | -7.4342 |
Coulombic: | -61.8058 |
Bond Count [?]
All: | 38 |
Single: | 28 |
Double: | 10 |
Rotors: | 13 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 498.567 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 2.9 |
LogP (Chemaxon): | 3.1 |
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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