Chemical ID: 6135834

CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)F)S1)CCCc3ccccc3
Chemical ID:
6135834
Name [?]:
N-ethyl-2-(4-fluorophenyl)imino-4-oxo-3-(3-phenylpropyl)-1,3-thiazinane-6-carboxamide
SMILES [?]:
CCNC(=O)C1CC(=O)N(C(=Nc2ccc(cc2)F)S1)CCCc3ccccc3
InChi [?]:
InChI=1/C22H24FN3O2S/c1-2-24-21(28)19-15-20(27)26(14-6-9-16-7-4-3-5-8-16)22(29-19)25-18-12-10-17(23)11-13-18/h3-5,7-8,10-13,19H,2,6,9,14-15H2,1H3,(H,24,28)
InChi Info:
AuxInfo=1/1/N:1,2,27,26,28,22,25,29,23,15,17,14,18,21,7,24,16,13,6,8,4,11,19,3,12,10,9,5,20/E:(4,5)(7,8)(10,11)(12,13)/rA:29cCCNCOCCCONCNCCCCCCFSCCCCCCCCC/rB:s1;s2;s3;d4;s4;s6;s7;d8;s8;s10;w11;s12;s13;d14;s15;d16;d13s17;s16;s6s11;s10;s21;s22;s23;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H24FN3O2S
All Atoms:29
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:11.3654
Area:633.174
Solvation:-4.46395
Coulombic:-47.1279
Bond Count [?]
All:31
Single:22
Double:9
Rotors:8
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:413.509
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.1
LogP (Chemaxon):4.62

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Descriptor Annotations

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