Chemical ID: 4899426

CCSc1nc2cc(ccc2c(=O)n1c3ccccc3)C(=O)OC
Chemical ID:
4899426
Name [?]:
methyl 2-ethylsulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate
SMILES [?]:
CCSc1nc2cc(ccc2c(=O)n1c3ccccc3)C(=O)OC
InChi [?]:
InChI=1/C18H16N2O3S/c1-3-24-18-19-15-11-12(17(22)23-2)9-10-14(15)16(21)20(18)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,2,18,17,19,16,20,9,10,7,8,15,11,6,12,21,4,5,14,13,22,23,3/E:(5,6)(7,8)/rA:24nCCSCNCCCCCCCONCCCCCCCOOC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;d12;s4s12;s14;s15;d16;s17;d18;d15s19;s8;d21;s21;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H16N2O3S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.8576
Area:538.756
Solvation:-2.61136
Coulombic:-44.2883
Bond Count [?]
All:26
Single:17
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:340.397
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:3.45
LogP (Chemaxon):3.64

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Descriptor Annotations

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