Chemical ID: 5488885

CC1CCc2c(sc3c2c(=O)[nH]c(n3)CN4CCCCC4)C1
Chemical ID:
5488885
Name [?]:
None
SMILES [?]:
CC1CCc2c(sc3c2c(=O)[nH]c(n3)CN4CCCCC4)C1
InChi [?]:
InChI=1/C17H23N3OS/c1-11-5-6-12-13(9-11)22-17-15(12)16(21)18-14(19-17)10-20-7-3-2-4-8-20/h11H,2-10H2,1H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,18,20,3,4,17,21,22,15,2,5,6,13,9,10,8,12,14,16,11,7/E:(3,4)(7,8)/rA:22cCCCCCCSCCCONCNCNCCCCCC/rB:s1;s2;s3;s4;d5;s6;s7;s5d8;s9;d10;s10;s12;s8d13;s13;s15;s16;s17;s18;s19;s16s20;s2s6;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H23N3OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.3303
Area:495.693
Solvation:-2.06199
Coulombic:-31.8642
Bond Count [?]
All:25
Single:21
Double:4
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:317.45
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:1.55
LogP (Chemaxon):2.63

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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