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Chemical ID: 4097819
Chemical ID:
4097819
Name [?]:
N-(2-furylmethyl)-1-(2-naphthylsulfonyl)pyrrolidine-2-carboxamide
SMILES [?]:
c1ccc2cc(ccc2c1)S(=O)(=O)N3CCCC3C(=O)NCc4ccco4
InChi [?]:
InChI=1/C20H20N2O4S/c23-20(21-14-17-7-4-12-26-17)19-8-3-11-22(19)27(24,25)18-10-9-15-5-1-2-6-16(15)13-18/h1-2,4-7,9-10,12-13,19H,3,8,11,14H2,(H,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,16,25,10,3,24,17,8,7,15,26,5,22,9,4,23,6,18,19,21,14,20,12,13,27,11/E:(24,25)/CRV:27.6/rA:27cCCCCCCCCCCSOONCCCCCONCCCCCO/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;d1s9;s6;d11;d11;s11;s14;s15;s16;s14s17;s18;d19;s19;s21;s22;d23;s24;d25;s23s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.42722 |
Area: | 585.107 |
Solvation: | -5.20046 |
Coulombic: | -35.2168 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 384.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.56 |
LogP (Chemaxon): | 2.34 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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