Chemical ID: 5289657

CC(C)Sc1nc2cc(ccc2c(=O)n1c3ccccc3)C(=O)OC
Chemical ID:
5289657
Name [?]:
methyl 2-isopropylsulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate
SMILES [?]:
CC(C)Sc1nc2cc(ccc2c(=O)n1c3ccccc3)C(=O)OC
InChi [?]:
InChI=1/C19H18N2O3S/c1-12(2)25-19-20-16-11-13(18(23)24-3)9-10-15(16)17(22)21(19)14-7-5-4-6-8-14/h4-12H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,25,19,18,20,17,21,10,11,8,2,9,16,12,7,13,22,5,6,15,14,23,24,4/E:(1,2)(5,6)(7,8)/rA:25nCCCSCNCCCCCCCONCCCCCCCOOC/rB:s1;s2;s2;s4;d5;s6;s7;d8;s9;d10;d7s11;s12;d13;s5s13;s15;s16;d17;s18;d19;d16s20;s9;d22;s22;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.2717
Area:554.157
Solvation:-2.58219
Coulombic:-44.6266
Bond Count [?]
All:27
Single:18
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:354.424
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.75
LogP (Chemaxon):3.95

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Descriptor Annotations

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