Chemical ID: 7580913

CN1CC(C=C2C1Cc3c[nH]c4c3c2ccc4)CSc5ccccn5
Chemical ID:
7580913
Name [?]:
None
SMILES [?]:
CN1CC(C=C2C1Cc3c[nH]c4c3c2ccc4)CSc5ccccn5
InChi [?]:
InChI=1/C21H21N3S/c1-24-12-14(13-25-20-7-2-3-8-22-20)9-17-16-5-4-6-18-21(16)15(11-23-18)10-19(17)24/h2-9,11,14,19,23H,10,12-13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,23,16,15,17,21,24,5,8,10,3,18,4,9,14,6,12,7,20,13,25,11,2,19/rA:25cCNCCCCCCCCNCCCCCCCSCCCCCN/rB:s1;s2;s3;s4;d5;s2s6;s7;s8;d9;s10;s11;s9s12;s6d13;s14;d15;d12s16;s4;s18;s19;s20;d21;s22;d23;d20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H21N3S
All Atoms:46
Heavy Atoms:25
Chiral Atoms:None
ZAP Information [?]
Total:11.1063
Area:532.399
Solvation:-2.20364
Coulombic:-23.5909
Bond Count [?]
All:29
Single:21
Double:8
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:3.36
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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