ChemDB: Chemical Search
Download
Chemical ID: 7155862
Chemical ID:
7155862
Name [?]:
N-(3-carbamoyl-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
SMILES [?]:
c1cnn(c1C(=O)Nc2c(c3c(s2)CCCC3)C(=O)N)C(F)F
InChi [?]:
InChI=1/C14H14F2N4O2S/c15-14(16)20-8(5-6-18-20)12(22)19-13-10(11(17)21)7-3-1-2-4-9(7)23-13/h5-6,14H,1-4H2,(H2,17,21)(H,19,22)
InChi Info:
AuxInfo=1/1/N:16,15,17,14,1,2,11,5,12,10,18,6,9,21,22,23,20,3,8,4,19,7,13/E:(15,16)/rA:23nCCNNCCONCCCCSCCCCCONCFF/rB:s1;d2;s3;d1s4;s5;d6;s6;s8;d9;s10;d11;s9s12;s12;s14;s15;s11s16;s10;d18;s18;s4;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14F2N4O2S |
All Atoms: | 37 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 6.90289 |
Area: | 492.987 |
Solvation: | -5.42179 |
Coulombic: | -60.8668 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 340.35 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 4 |
XLogP: | 1.33 |
LogP (Chemaxon): | 1.71 |
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 |
---|