Chemical ID: 7156601

CCCc1cc2c(s1)nc(n(c2=O)NC(=O)c3ccnn3C)C
Chemical ID:
7156601
Name [?]:
2-methyl-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)c3ccnn3C)C
InChi [?]:
InChI=1/C15H17N5O2S/c1-4-5-10-8-11-14(23-10)17-9(2)20(15(11)22)18-13(21)12-6-7-16-19(12)3/h6-8H,4-5H2,1-3H3,(H,18,21)
InChi Info:
AuxInfo=1/1/N:1,23,22,2,3,18,19,5,10,4,6,17,15,7,12,20,9,14,21,11,16,13,8/rA:23nCCCCCCCSNCNCONCOCCCNNCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;d9;s10;s6s11;d12;s11;s14;d15;s15;d17;s18;d19;s17s20;s21;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N5O2S
All Atoms:40
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.37646
Area:532.185
Solvation:-3.92818
Coulombic:-41.1234
Bond Count [?]
All:25
Single:18
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:331.394
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:1.46
LogP (Chemaxon):0.07

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Descriptor Annotations

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