Chemical ID: 4860857

CC(=NNc1c2c3c(sc2ncn1)CCCC3)c4ccc5ccccc5c4
Chemical ID:
4860857
Name [?]:
None
SMILES [?]:
CC(=NNc1c2c3c(sc2ncn1)CCCC3)c4ccc5ccccc5c4
InChi [?]:
InChI=1/C22H20N4S/c1-14(16-11-10-15-6-2-3-7-17(15)12-16)25-26-21-20-18-8-4-5-9-19(18)27-22(20)24-13-23-21/h2-3,6-7,10-13H,4-5,8-9H2,1H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,23,24,16,15,22,25,17,14,20,19,27,12,2,21,18,26,7,8,6,5,10,13,11,3,4,9/rA:27nCCNNCCCCSCNCNCCCCCCCCCCCCCC/rB:s1;w2;s3;s4;s5;s6;d7;s8;d6s9;s10;d11;d5s12;s8;s14;s15;s7s16;s2;s18;d19;s20;s21;d22;s23;d24;d21s25;d18s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N4S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:0
ZAP Information [?]
Total:11.5812
Area:573.345
Solvation:-2.75241
Coulombic:-22.4444
Bond Count [?]
All:31
Single:21
Double:10
Rotors:3
Chiral:1
Rigid Segments:3
Chemical Properties
Molecular Weight:372.487
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:5.42
LogP (Chemaxon):5.31

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Descriptor Annotations

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