Chemical ID: 4637067

CN1CCc2c(sc3c2c4nc(nn4cn3)c5ccc(cc5)OC)C1
Chemical ID:
4637067
Name [?]:
None
SMILES [?]:
CN1CCc2c(sc3c2c4nc(nn4cn3)c5ccc(cc5)OC)C1
InChi [?]:
InChI=1/C18H17N5OS/c1-22-8-7-13-14(9-22)25-18-15(13)17-20-16(21-23(17)10-19-18)11-3-5-12(24-2)6-4-11/h3-6,10H,7-9H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,24,18,22,19,21,4,3,25,15,17,20,5,6,9,12,10,8,16,11,13,2,14,23,7/E:(3,4)(5,6)/rA:25cCNCCCCSCCCNCNNCNCCCCCCOCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s11;d12;s10s13;s14;s8d15;s12;s17;d18;s19;d20;d17s21;s20;s23;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H17N5OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.2051
Area:533.666
Solvation:-3.1365
Coulombic:-30.4421
Bond Count [?]
All:29
Single:21
Double:8
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:351.427
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.63
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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