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Chemical ID: 7163800
Chemical ID:
7163800
Name [?]:
N-[4-(4-oxo-2-sulfanyl-quinazolin-3-yl)phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)n2c(=O)c3ccccc3nc2S
InChi [?]:
InChI=1/C16H13N3O2S/c1-10(20)17-11-6-8-12(9-7-11)19-15(21)13-4-2-3-5-14(13)18-16(19)22/h2-9H,1H3,(H,17,20)(H,18,22)
InChi Info:
AuxInfo=1/1/N:1,16,17,15,18,6,10,7,9,2,5,8,14,19,12,21,4,20,11,3,13,22/E:(6,7)(8,9)/rA:22nCCONCCCCCCNCOCCCCCCNCS/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;s11d20;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H13N3O2S |
All Atoms: | 35 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.11827 |
Area: | 489.766 |
Solvation: | -3.12588 |
Coulombic: | -43.8971 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 311.359 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 2.05 |
LogP (Chemaxon): | 2.62 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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