Chemical ID: 6911902

CC(=O)N1CN(Cc2c1sc3c2CCCC3)C(C)(C)C
Chemical ID:
6911902
Name [?]:
None
SMILES [?]:
CC(=O)N1CN(Cc2c1sc3c2CCCC3)C(C)(C)C
InChi [?]:
InChI=1/C16H24N2OS/c1-11(19)18-10-17(16(2,3)4)9-13-12-7-5-6-8-14(12)20-15(13)18/h5-10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,18,19,20,14,15,13,16,7,5,2,12,8,11,9,17,6,4,3,10/E:(2,3,4)/rA:20cCCONCNCCCSCCCCCCCCCC/rB:s1;d2;s2;s4;s5;s6;s7;s4d8;s9;s10;s8d11;s12;s13;s14;s11s15;s6;s17;s17;s17;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H24N2OS
All Atoms:44
Heavy Atoms:20
Chiral Atoms:1
ZAP Information [?]
Total:9.48163
Area:461.263
Solvation:-2.04994
Coulombic:-20.6043
Bond Count [?]
All:22
Single:19
Double:3
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:292.441
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:2.12
LogP (Chemaxon):2.47

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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