Chemical ID: 6723234

CC[NH+]1CCN(CC1)C(=O)c2c(c3c(=O)[nH]c(nc3s2)C)C
Chemical ID:
6723234
Name [?]:
8-[(4-ethyl-2,3,5,6-tetrahydropyrazin-1-yl)carbonyl]-4,9-dimethyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-2-one
SMILES [?]:
CC[NH+]1CCN(CC1)C(=O)c2c(c3c(=O)[nH]c(nc3s2)C)C
InChi [?]:
InChI=1/C15H20N4O2S/c1-4-18-5-7-19(8-6-18)15(21)12-9(2)11-13(20)16-10(3)17-14(11)22-12/h4-8H2,1-3H3,(H,16,17,20)/p+1
InChi Info:
AuxInfo=1/1/N:1,22,21,2,4,8,5,7,12,17,13,11,14,19,9,16,18,3,6,15,10,20/E:(5,6)(7,8)/rA:22nCCN+CCNCCCOCCCCONCNCSCC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;d11;s12;s13;d14;s14;s16;d17;d13s18;s11s19;s17;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H21N4O2S+
All Atoms:43
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-20.5492
Area:495.024
Solvation:-32.9248
Coulombic:-11.6309
Bond Count [?]
All:24
Single:19
Double:5
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:321.419
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:-0.37
LogP (Chemaxon):-0.16

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Descriptor Annotations

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