Chemical ID: 7158574

CCCc1cc2c(s1)nc(n(c2=O)NC(=O)c3ccn(n3)CC)C
Chemical ID:
7158574
Name [?]:
1-ethyl-N-(4-methyl-2-oxo-8-propyl-7-thia-3,5-diazabicyclo[4.3.0]nona-4,8,10-trien-3-yl)-pyrazole-3-carboxamide
SMILES [?]:
CCCc1cc2c(s1)nc(n(c2=O)NC(=O)c3ccn(n3)CC)C
InChi [?]:
InChI=1/C16H19N5O2S/c1-4-6-11-9-12-15(24-11)17-10(3)21(16(12)23)19-14(22)13-7-8-20(5-2)18-13/h7-9H,4-6H2,1-3H3,(H,19,22)
InChi Info:
AuxInfo=1/1/N:1,23,24,2,22,3,18,19,5,10,4,6,17,15,7,12,9,21,14,20,11,16,13,8/rA:24nCCCCCCCSNCNCONCOCCCNNCCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;d9;s10;s6s11;d12;s11;s14;d15;s15;s17;d18;s19;d17s20;s20;s22;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N5O2S
All Atoms:43
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:10.9019
Area:563.333
Solvation:-3.18141
Coulombic:-42.6644
Bond Count [?]
All:26
Single:19
Double:7
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:345.421
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.79
LogP (Chemaxon):1.05

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