Chemical ID: 4894927

CSc1nc2c3c4c(c(nc3sc2c(n1)N5CCNCC5)c6ccccc6)CCC4
Chemical ID:
4894927
Name [?]:
None
SMILES [?]:
CSc1nc2c3c4c(c(nc3sc2c(n1)N5CCNCC5)c6ccccc6)CCC4
InChi [?]:
InChI=1/C23H23N5S2/c1-29-23-26-19-17-15-8-5-9-16(15)18(14-6-3-2-4-7-14)25-22(17)30-20(19)21(27-23)28-12-10-24-11-13-28/h2-4,6-7,24H,5,8-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,25,24,26,29,23,27,30,28,18,20,17,21,22,7,8,6,9,5,13,14,11,3,19,10,4,15,16,2,12/E:(3,4)(6,7)(10,11)(12,13)/rA:30nCSCNCCCCCNCSCCNNCCNCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s11;s5s12;d13;d3s14;s14;s16;s17;s18;s19;s16s20;s9;s22;d23;s24;d25;d22s26;s8;s28;s7s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23N5S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:13.1866
Area:611.946
Solvation:-2.11203
Coulombic:-35.666
Bond Count [?]
All:35
Single:26
Double:9
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:433.594
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:4.65
LogP (Chemaxon):6.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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