Chemical ID: 4599514

CN1CCc2c(sc3c2c(=O)n(c(n3)NN)c4ccccc4)C1
Chemical ID:
4599514
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c(=O)n(c(n3)NN)c4ccccc4)C1
InChi [?]:
InChI=1/C16H17N5OS/c1-20-8-7-11-12(9-20)23-14-13(11)15(22)21(16(18-14)19-17)10-5-3-2-4-6-10/h2-6H,7-9,17H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,18,22,4,3,23,17,5,6,9,8,10,13,16,14,15,2,12,11,7/E:(3,4)(5,6)/rA:23cCNCCCCSCCCONCNNNCCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s12;s17;d18;s19;d20;d17s21;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H17N5OS
All Atoms:23
Heavy Atoms:23
Chiral Atoms:1
ZAP Information [?]
Total:9.79342
Area:496.795
Solvation:-2.62646
Coulombic:-46.6856
Bond Count [?]
All:26
Single:19
Double:7
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:327.405
H-Bond Donors:3
H-Bond Acceptors:4
XLogP:0.14
LogP (Chemaxon):2.1

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Experimental Annotations

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Descriptor Annotations

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