Chemical ID: 5663790

COC(=O)CN1C(c2cc(ccc2NC1c3ccc(cc3)N(=O)=O)Br)c4ccccc4
Chemical ID:
5663790
Name [?]:
methyl 2-[6-bromo-2-(4-nitrophenyl)-4-phenyl-2,4-dihydro-1H-quinazolin-3-yl]acetate
SMILES [?]:
COC(=O)CN1C(c2cc(ccc2NC1c3ccc(cc3)N(=O)=O)Br)c4ccccc4
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C23H20BrN3O4
All Atoms:31
Heavy Atoms:31
Chiral Atoms:3
ZAP Information [?]
Total:7.14713
Area:612.426
Solvation:-8.16352
Coulombic:-50.8074
Bond Count [?]
All:34
Single:22
Double:12
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:482.327
H-Bond Donors:1
H-Bond Acceptors:7
XLogP:5.13
LogP (Chemaxon):5.61

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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