Chemical ID: 7294254

CN1CCc2c(sc(n2)NC(=O)c3cc(cc(c3)OC)OC)C1
Chemical ID:
7294254
Name [?]:
3,5-dimethoxy-N-(4-methyl-7-thia-4,9-diazabicyclo[4.3.0]nona-8,10-dien-8-yl)-benzamide
SMILES [?]:
CN1CCc2c(sc(n2)NC(=O)c3cc(cc(c3)OC)OC)C1
InChi [?]:
InChI=1/C16H19N3O3S/c1-19-5-4-13-14(9-19)23-16(17-13)18-15(20)10-6-11(21-2)8-12(7-10)22-3/h6-8H,4-5,9H2,1-3H3,(H,17,18,20)
InChi Info:
AuxInfo=1/1/N:1,20,22,4,3,18,14,16,23,13,17,15,5,6,11,8,9,10,2,12,19,21,7/E:(2,3)(6,7)(11,12)(21,22)/rA:23cCNCCCCSCNNCOCCCCCCOCOCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s8;s10;d11;s11;s13;d14;s15;d16;d13s17;s17;s19;s15;s21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N3O3S
All Atoms:42
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:8.05331
Area:524.56
Solvation:-5.06068
Coulombic:-44.4211
Bond Count [?]
All:25
Single:19
Double:6
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:333.406
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:0.94
LogP (Chemaxon):1.55

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue