Chemical ID: 7163800

CC(=O)Nc1ccc(cc1)n2c(=O)c3ccccc3nc2S
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

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Descriptor Annotations

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