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Chemical ID: 5146088
Chemical ID:
5146088
Name [?]:
3-[5-(benzenesulfonamidomethyl)-2-furyl]-2-cyano-N-(2-methoxyethyl)prop-2-enamide
SMILES [?]:
COCCNC(=O)C(=Cc1ccc(o1)CNS(=O)(=O)c2ccccc2)C#N
InChi [?]:
InChI=1/C18H19N3O5S/c1-25-10-9-20-18(22)14(12-19)11-15-7-8-16(26-15)13-21-27(23,24)17-5-3-2-4-6-17/h2-8,11,21H,9-10,13H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,22,24,21,25,11,12,4,3,9,26,15,8,10,13,20,6,27,5,16,7,18,19,2,14,17/E:(3,4)(5,6)(23,24)/CRV:27.6/rA:27nCOCCNCOCCCCCCOCNSOOCCCCCCCN/rB:s1;s2;s3;s4;s5;d6;s6;w8;s9;d10;s11;d12;s10s13;s13;s15;s16;d17;d17;s17;s20;d21;s22;d23;d20s24;s8;t26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H19N3O5S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.95723 |
Area: | 603.06 |
Solvation: | -6.11926 |
Coulombic: | -51.0171 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 9 |
Rotors: | 10 |
Chiral: | 1 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 389.427 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 1.0 |
LogP (Chemaxon): | 0.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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