Chemical ID: 6909131

CC1CCCCN1c2c3c4c(sc3ncn2)CCCC4
Chemical ID:
6909131
Name [?]:
None
SMILES [?]:
CC1CCCCN1c2c3c4c(sc3ncn2)CCCC4
InChi [?]:
InChI=1/C16H21N3S/c1-11-6-4-5-9-19(11)15-14-12-7-2-3-8-13(12)20-16(14)18-10-17-15/h10-11H,2-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,19,18,4,5,3,20,17,6,15,2,10,11,9,8,13,16,14,7,12/rA:20cCCCCCCNCCCCSCNCNCCCC/rB:s1;s2;s3;s4;s5;s2s6;s7;s8;s9;d10;s11;d9s12;s13;d14;d8s15;s11;s17;s18;s10s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H21N3S
All Atoms:41
Heavy Atoms:20
Chiral Atoms:2
ZAP Information [?]
Total:9.91418
Area:439.679
Solvation:-1.0778
Coulombic:-19.0829
Bond Count [?]
All:23
Single:19
Double:4
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:287.424
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.23
LogP (Chemaxon):4.31

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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