Chemical ID: 4714727

COCCNc1c2ccccc2nc(n1)SC
Chemical ID:
4714727
Name [?]:
N-(2-methoxyethyl)-2-methylsulfanyl-quinazolin-4-amine
SMILES [?]:
COCCNc1c2ccccc2nc(n1)SC
InChi [?]:
InChI=1/C12H15N3OS/c1-16-8-7-13-11-9-5-3-4-6-10(9)14-12(15-11)17-2/h3-6H,7-8H2,1-2H3,(H,13,14,15)
InChi Info:
AuxInfo=1/1/N:1,17,9,10,8,11,4,3,7,12,6,14,5,13,15,2,16/rA:17nCOCCNCCCCCCCNCNSC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s12;d13;d6s14;s14;s16;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H15N3OS
All Atoms:17
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:8.15095
Area:444.217
Solvation:-2.95446
Coulombic:-32.8946
Bond Count [?]
All:18
Single:13
Double:5
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:249.333
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:2.1
LogP (Chemaxon):2.76

Name Annotations

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Descriptor Annotations

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