Chemical ID: 7028239

CCN(CC)Cc1[nH]c(=O)c2c3c(sc2n1)CCCC3
Chemical ID:
7028239
Name [?]:
None
SMILES [?]:
CCN(CC)Cc1[nH]c(=O)c2c3c(sc2n1)CCCC3
InChi [?]:
InChI=1/C15H21N3OS/c1-3-18(4-2)9-12-16-14(19)13-10-7-5-6-8-11(10)20-15(13)17-12/h3-9H2,1-2H3,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,5,2,4,19,18,20,17,6,12,13,7,11,9,15,8,16,3,10,14/E:(1,2)(3,4)/rA:20nCCNCCCCNCOCCCSCNCCCC/rB:s1;s2;s3;s4;s3;s6;s7;s8;d9;s9;s11;d12;s13;d11s14;d7s15;s13;s17;s18;s12s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21N3OS
All Atoms:41
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:9.86521
Area:478.047
Solvation:-2.08597
Coulombic:-31.614
Bond Count [?]
All:22
Single:18
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.413
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.03
LogP (Chemaxon):2.26

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