Chemical ID: 6751913

Cc1nc2c3cc4c([nH+]c3sc2c(=O)n1CC(C)C)CC(OC4)(C)C
Chemical ID:
6751913
Name [?]:
None
SMILES [?]:
Cc1nc2c3cc4c([nH+]c3sc2c(=O)n1CC(C)C)CC(OC4)(C)C
InChi [?]:
InChI=1/C19H23N3O2S/c1-10(2)8-22-11(3)20-15-13-6-12-9-24-19(4,5)7-14(12)21-17(13)25-16(15)18(22)23/h6,10H,7-9H2,1-5H3/p+1
InChi Info:
AuxInfo=1/1/N:18,19,1,24,25,6,20,16,23,17,2,7,5,8,4,12,10,13,21,3,9,15,14,22,11/E:(1,2)(4,5)/rA:25nCCNCCCCCN+CSCCONCCCCCCOCCC/rB:s1;d2;s3;s4;s5;d6;s7;d8;d5s9;s10;d4s11;s12;d13;s2s13;s15;s16;s17;s17;s8;s20;s21;s7s22;s21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H24N3O2S+
All Atoms:49
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:-20.4376
Area:539.235
Solvation:-33.9185
Coulombic:-20.8032
Bond Count [?]
All:28
Single:22
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:358.479
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.2
LogP (Chemaxon):3.22

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