Chemical ID: 6875290

CCCOC(=O)C(C)n1cnc2c(c1=O)c(c(s2)C)c3ccc(cc3)F
Chemical ID:
6875290
Name [?]:
propyl 2-[7-(4-fluorophenyl)-8-methyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-4-yl]propanoate
SMILES [?]:
CCCOC(=O)C(C)n1cnc2c(c1=O)c(c(s2)C)c3ccc(cc3)F
InChi [?]:
InChI=1/C19H19FN2O3S/c1-4-9-25-19(24)11(2)22-10-21-17-16(18(22)23)15(12(3)26-17)13-5-7-14(20)8-6-13/h5-8,10-11H,4,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,19,2,21,25,22,24,3,10,7,17,20,23,16,13,12,14,5,26,11,9,15,6,4,18/E:(5,6)(7,8)/rA:26cCCCOCOCCNCNCCCOCCSCCCCCCCF/rB:s1;s2;s3;s4;d5;s5;s7;s7;s9;d10;s11;d12;s9s13;d14;s13;d16;s12s17;s17;s16;s20;d21;s22;d23;d20s24;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H19FN2O3S
All Atoms:45
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.7496
Area:570.486
Solvation:-3.51251
Coulombic:-46.1562
Bond Count [?]
All:28
Single:20
Double:8
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:374.43
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.07
LogP (Chemaxon):3.71

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Descriptor Annotations

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