ChemDB: Chemical Search
Download
Chemical ID: 6206291
Chemical ID:
6206291
Name [?]:
4-(7,7-dioxo-7$l^{6}-thia-8,10-diazabicyclo[4.4.0]deca-2,4,9,11-tetraen-9-yl)-N-isopentyl-butanamide
SMILES [?]:
CC(C)CCNC(=O)CCCC1=Nc2ccccc2S(=O)(=O)N1
InChi [?]:
InChI=1/C16H23N3O3S/c1-12(2)10-11-17-16(20)9-5-8-15-18-13-6-3-4-7-14(13)23(21,22)19-15/h3-4,6-7,12H,5,8-11H2,1-2H3,(H,17,20)(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,3,16,17,10,15,18,11,9,4,5,2,14,19,12,7,6,13,23,8,21,22,20/E:(1,2)(21,22)/CRV:23.6/rA:23nCCCCCNCOCCCCNCCCCCCSOON/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;s11;d12;s13;s14;d15;s16;d17;d14s18;s19;d20;d20;s12s20;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H23N3O3S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.7603 |
Area: | 567.097 |
Solvation: | -3.41708 |
Coulombic: | -37.5787 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 337.438 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 6 |
XLogP: | 2.03 |
LogP (Chemaxon): | 2.26 |
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 |
---|