ChemDB: Chemical Search
Download
Chemical ID: 6216791
Chemical ID:
6216791
Name [?]:
N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-4-(dimethylsulfamoyl)benzamide
SMILES [?]:
CC1(Cc2c(sc(n2)NC(=O)c3ccc(cc3)S(=O)(=O)N(C)C)C(=O)C1)C
InChi [?]:
InChI=1/C18H21N3O4S2/c1-18(2)9-13-15(14(22)10-18)26-17(19-13)20-16(23)11-5-7-12(8-6-11)27(24,25)21(3)4/h5-8H,9-10H2,1-4H3,(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,27,22,23,13,17,14,16,3,26,12,15,4,24,5,10,7,2,8,9,21,25,11,19,20,6,18/E:(1,2)(3,4)(5,6)(7,8)(24,25)/CRV:27.6/rA:27nCCCCCSCNNCOCCCCCCSOONCCCOCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;d18;s18;s21;s21;s5;d24;s2s24;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H21N3O4S2 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.4533 |
Area: | 597.902 |
Solvation: | -4.49424 |
Coulombic: | -40.6736 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.509 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 1.55 |
LogP (Chemaxon): | 1.83 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|