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Chemical ID: 6918044
Chemical ID:
6918044
Name [?]:
7-chloro-2-ethyl-4-oxo-2,3-dihydro-1H-quinazoline-6-sulfonamide
SMILES [?]:
CCC1Nc2cc(c(cc2C(=O)N1)S(=O)(=O)N)Cl
InChi [?]:
InChI=1/C10H12ClN3O3S/c1-2-9-13-7-4-6(11)8(18(12,16)17)3-5(7)10(15)14-9/h3-4,9,13H,2H2,1H3,(H,14,15)(H2,12,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,9,6,10,7,5,8,3,11,18,17,4,13,12,15,16,14/E:(16,17)/CRV:18.6/rA:18cCCCNCCCCCCCONSOONCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;d11;s3s11;s8;d14;d14;s14;s7;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H12ClN3O3S |
All Atoms: | 30 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.63867 |
Area: | 433.114 |
Solvation: | -3.18917 |
Coulombic: | -47.6115 |
Bond Count [?]
All: | 19 |
Single: | 13 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 289.739 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 6 |
XLogP: | 0.9 |
LogP (Chemaxon): | 1.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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