Chemical ID: 7156508

CCCc1cc2c(s1)nc(n(c2=O)NC(=O)c3c(c(n(n3)C)C)Cl)C
Chemical ID:
7156508
Name [?]:
4-chloro-1,5-dimethyl-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)c3c(c(n(n3)C)C)Cl)C
InChi [?]:
InChI=1/C16H18ClN5O2S/c1-5-6-10-7-11-15(25-10)18-9(3)22(16(11)24)20-14(23)13-12(17)8(2)21(4)19-13/h7H,5-6H2,1-4H3,(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,23,25,22,2,3,5,19,10,4,6,18,17,15,7,12,24,9,21,14,20,11,16,13,8/rA:25nCCCCCCCSNCNCONCOCCCNNCCClC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;d9;s10;s6s11;d12;s11;s14;d15;s15;s17;d18;s19;d17s20;s20;s19;s18;s10;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H18ClN5O2S
All Atoms:43
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.4771
Area:582.983
Solvation:-3.09743
Coulombic:-42.9569
Bond Count [?]
All:27
Single:20
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:379.865
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.14
LogP (Chemaxon):1.24

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