Chemical ID: 6457888

CCc1ccc2c(c1)C3C(CCO3)C(N2)c4cccs4
Chemical ID:
6457888
Name [?]:
None
SMILES [?]:
CCc1ccc2c(c1)C3C(CCO3)C(N2)c4cccs4
InChi [?]:
InChI=1/C17H19NOS/c1-2-11-5-6-14-13(10-11)17-12(7-8-19-17)16(18-14)15-4-3-9-20-15/h3-6,9-10,12,16-18H,2,7-8H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,18,17,4,5,11,12,19,8,3,10,7,6,16,14,9,15,13,20/rA:20cCCCCCCCCCCCCOCNCCCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;s10;s11;s9s12;s10;s6s14;s14;d16;s17;d18;s16s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19NOS
All Atoms:20
Heavy Atoms:20
Chiral Atoms:3
ZAP Information [?]
Total:9.04499
Area:467.535
Solvation:-2.64338
Coulombic:-22.3028
Bond Count [?]
All:23
Single:18
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:285.405
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.42
LogP (Chemaxon):3.45

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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