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Chemical ID: 6009306
Chemical ID:
6009306
Name [?]:
3-phenyl-N-(tetrahydrofuran-2-ylmethyl)-N-(thiazol-2-ylcarbamoylmethyl)propanamide
SMILES [?]:
c1ccc(cc1)CCC(=O)N(CC2CCCO2)CC(=O)Nc3nccs3
InChi [?]:
InChI=1/C19H23N3O3S/c23-17(21-19-20-10-12-26-19)14-22(13-16-7-4-11-25-16)18(24)9-8-15-5-2-1-3-6-15/h1-3,5-6,10,12,16H,4,7-9,11,13-14H2,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,3,5,14,7,8,24,16,25,12,18,4,13,19,9,22,23,21,11,20,10,17,26/E:(2,3)(5,6)/rA:26cCCCCCCCCCONCCCCCOCCONCNCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s9;s11;s12;s13;s14;s15;s13s16;s11;s18;d19;s19;s21;d22;s23;d24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H23N3O3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.67242 |
Area: | 612.899 |
Solvation: | -5.65005 |
Coulombic: | -49.081 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 373.47 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.21 |
LogP (Chemaxon): | 2.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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