Chemical ID: 7358345

CSc1nc2ccc(cc2s1)Nc3c4c5c(sc4ncn3)CCCCC5
Chemical ID:
7358345
Name [?]:
None
SMILES [?]:
CSc1nc2ccc(cc2s1)Nc3c4c5c(sc4ncn3)CCCCC5
InChi [?]:
InChI=1/C19H18N4S3/c1-24-19-23-13-8-7-11(9-15(13)26-19)22-17-16-12-5-3-2-4-6-14(12)25-18(16)21-10-20-17/h7-10H,2-6H2,1H3,(H,20,21,22)
InChi Info:
AuxInfo=1/1/N:1,24,25,23,26,22,7,6,9,20,8,15,5,16,10,14,13,18,3,21,19,12,4,2,17,11/rA:26nCSCNCCCCCCSNCCCCSCNCNCCCCC/rB:s1;s2;d3;s4;s5;d6;s7;d8;d5s9;s3s10;s8;s12;s13;s14;d15;s16;d14s17;s18;d19;d13s20;s16;s22;s23;s24;s15s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N4S3
All Atoms:44
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:12.8165
Area:580.255
Solvation:-1.68988
Coulombic:-30.1305
Bond Count [?]
All:30
Single:22
Double:8
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:398.571
H-Bond Donors:1
H-Bond Acceptors:1
XLogP:3.76
LogP (Chemaxon):6.25

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Descriptor Annotations

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