Chemical ID: 7278161

Cc1cnc(s1)C2(Cc3ccccc3N4C2CCC4)C#N
Chemical ID:
7278161
Name [?]:
None
SMILES [?]:
Cc1cnc(s1)C2(Cc3ccccc3N4C2CCC4)C#N
InChi [?]:
InChI=1/C17H17N3S/c1-12-10-19-16(21-12)17(11-18)9-13-5-2-3-6-14(13)20-8-4-7-15(17)20/h2-3,5-6,10,15H,4,7-9H2,1H3
InChi Info:
AuxInfo=1/0/N:1,11,12,18,10,13,17,19,8,3,20,2,9,14,16,5,7,21,4,15,6/rA:21cCCCNCSCCCCCCCCNCCCCCN/rB:s1;d2;s3;d4;s2s5;s5;s7;s8;s9;d10;s11;d12;d9s13;s14;s7s15;s16;s17;s15s18;s7;t20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3S
All Atoms:38
Heavy Atoms:21
Chiral Atoms:3
ZAP Information [?]
Total:9.65951
Area:466.301
Solvation:-1.99801
Coulombic:-15.8984
Bond Count [?]
All:24
Single:18
Double:5
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:295.403
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:2.1
LogP (Chemaxon):3.64

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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