Chemical ID: 6909949

CCOC(=O)C1=C(N=C(NC1c2cccc(c2)F)S)C
Chemical ID:
6909949
Name [?]:
ethyl 4-(3-fluorophenyl)-6-methyl-2-sulfanyl-3,4-dihydropyrimidine-5-carboxylate
SMILES [?]:
CCOC(=O)C1=C(N=C(NC1c2cccc(c2)F)S)C
InChi [?]:
InChI=1/C14H15FN2O2S/c1-3-19-13(18)11-8(2)16-14(20)17-12(11)9-5-4-6-10(15)7-9/h4-7,12H,3H2,1-2H3,(H2,16,17,20)
InChi Info:
AuxInfo=1/1/N:1,20,2,14,13,15,17,7,12,16,6,11,4,9,18,8,10,5,3,19/rA:20cCCOCOCCNCNCCCCCCCFSC/rB:s1;s2;s3;d4;s4;d6;s7;d8;s9;s6s10;s11;s12;d13;s14;d15;d12s16;s16;s9;s7;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H15FN2O2S
All Atoms:35
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:8.74701
Area:463.477
Solvation:-2.83992
Coulombic:-42.7138
Bond Count [?]
All:21
Single:15
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:294.346
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.37
LogP (Chemaxon):2.17

Name Annotations

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Descriptor Annotations

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