Chemical ID: 4340740

Cc1c(sc2c1c(=O)[nH]c(n2)SCC(=O)NCCCn3ccnc3)C
Chemical ID:
4340740
Name [?]:
2-[(7,8-dimethyl-5-oxo-9-thia-2,4-diazabicyclo[4.3.0]nona-2,7,10-trien-3-yl)sulfanyl]-N-(3-imidazol-1-ylpropyl)acetamide
SMILES [?]:
Cc1c(sc2c1c(=O)[nH]c(n2)SCC(=O)NCCCn3ccnc3)C
InChi [?]:
InChI=1/C16H19N5O2S2/c1-10-11(2)25-15-13(10)14(23)19-16(20-15)24-8-12(22)18-4-3-6-21-7-5-17-9-21/h5,7,9H,3-4,6,8H2,1-2H3,(H,18,22)(H,19,20,23)
InChi Info:
AuxInfo=1/1/N:1,25,18,17,22,19,21,13,24,2,3,14,6,7,5,10,23,16,9,11,20,15,8,12,4/rA:25nCCCSCCCONCNSCCONCCCNCCNCC/rB:s1;d2;s3;s4;s2d5;s6;d7;s7;s9;s5d10;s10;s12;s13;d14;s14;s16;s17;s18;s19;s20;d21;s22;s20d23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H19N5O2S2
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.1758
Area:605.666
Solvation:-3.96582
Coulombic:-56.7829
Bond Count [?]
All:27
Single:20
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:377.487
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.12
LogP (Chemaxon):0.89

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