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Chemical ID: 6135831
Chemical ID:
6135831
Name [?]:
2-(4-fluorophenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
SMILES [?]:
c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
InChi [?]:
InChI=1/C20H20FN3O2S/c21-15-8-10-16(11-9-15)23-20-24(18(25)13-17(27-20)19(22)26)12-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2,(H2,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,6,8,3,5,7,20,22,19,23,9,13,4,21,18,14,11,25,16,24,27,17,10,12,26,15/E:(2,3)(5,6)(8,9)(10,11)/rA:27cCCCCCCCCCNCOCCSCNCCCCCCFCON/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s11;s13;s14;s10s15;w16;s17;s18;d19;s20;d21;d18s22;s21;s14;d25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20FN3O2S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0527 |
Area: | 583.506 |
Solvation: | -4.5349 |
Coulombic: | -51.0361 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 6 |
Chiral: | 1 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 385.456 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 2.16 |
LogP (Chemaxon): | 4.03 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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