Chemical ID: 6135831

c1ccc(cc1)CCCN2C(=O)CC(SC2=Nc3ccc(cc3)F)C(=O)N
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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Descriptor Annotations

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