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Chemical ID: 3967503
Chemical ID:
3967503
Name [?]:
7-chloro-2-methyl-3-(o-tolyl)-4-oxo-1,2-dihydroquinazoline-6-sulfonamide
SMILES [?]:
Cc1ccccc1N2C(Nc3cc(c(cc3C2=O)S(=O)(=O)N)Cl)C
InChi [?]:
InChI=1/C16H16ClN3O3S/c1-9-5-3-4-6-14(9)20-10(2)19-13-8-12(17)15(24(18,22)23)7-11(13)16(20)21/h3-8,10,19H,1-2H3,(H2,18,22,23)
InChi Info:
AuxInfo=1/1/N:1,24,4,5,3,6,15,12,2,9,16,13,11,7,14,17,23,22,10,8,18,20,21,19/E:(22,23)/CRV:24.6/rA:24cCCCCCCCNCNCCCCCCCOSOONClC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;s11;d12;s13;d14;d11s15;s8s16;d17;s14;d19;d19;s19;s13;s9;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16ClN3O3S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.37571 |
Area: | 517.346 |
Solvation: | -3.55794 |
Coulombic: | -43.7167 |
Bond Count [?]
All: | 26 |
Single: | 17 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 365.835 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 6 |
XLogP: | 2.48 |
LogP (Chemaxon): | 2.92 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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