In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 8th, 2006 | 19 | No |
Popular Name: 3-(4-bromophenyl)-2-thioxo-2,3-dihydro-4(1H)-quinazolinone 3-(4-bromophenyl)-2-thioxo-2,3-d…
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CAS Numbers: 1028-39-3 , [1028-39-3]
3-(4-Bromo-phenyl)-2-mercapto-3H-quinazolin-4-one
3-(4-Bromo-phenyl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one
3-(4-bromophenyl)-2-sulfanylidene-1,2,3,4-tetrahydroquinazolin-4-one
3-(4-Bromophenyl)-2-thioxo-2,3-dihydro-1H-quinazolin-4-one
3-(4-Bromophenyl)-2-thioxo-2,3-dihydroquinazolin-4(1H)-one
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.12 | 9.24 | -12.12 | 1 | 3 | 0 | 38 | 333.21 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.85 | 8.96 | -40.78 | 0 | 3 | -1 | 35 | 332.202 | 1 | ↓ |
Note Type | Comments | Provided By |
---|---|---|
melting_point | 3.380000000000000e+002 - 3.400000000000000e+002 | KeyOrganics |
melting_point | 338 - 340 | KeyOrganics |
MP | 338-340° | Matrix Scientific |
purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
Purity | >95% | Matrix Scientific |
Warnings | IRRITANT | Matrix Scientific |
No pre-computed analogs available. Try a structural similarity search.