Chemical ID: 7319070

CN(Cc1[nH]c(=O)c2c3c(sc2n1)CCC3)C4CCCCC4
Chemical ID:
7319070
Name [?]:
None
SMILES [?]:
CN(Cc1[nH]c(=O)c2c3c(sc2n1)CCC3)C4CCCCC4
InChi [?]:
InChI=1/C17H23N3OS/c1-20(11-6-3-2-4-7-11)10-14-18-16(21)15-12-8-5-9-13(12)22-17(15)19-14/h11H,2-10H2,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,15,18,22,16,14,3,17,9,10,4,8,6,12,5,13,2,7,11/E:(3,4)(6,7)/rA:22cCNCCNCOCCCSCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s6;s8;d9;s10;d8s11;d4s12;s10;s14;s9s15;s2;s17;s18;s19;s20;s17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N3OS
All Atoms:45
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.4874
Area:503.957
Solvation:-2.11157
Coulombic:-31.9045
Bond Count [?]
All:25
Single:21
Double:4
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:317.45
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.44
LogP (Chemaxon):2.5

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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