Chemical ID: 5334902

CC12CCC3C1(CC23C(=O)Nc4nc5ccccc5s4)C
Chemical ID:
5334902
Name [?]:
None
SMILES [?]:
CC12CCC3C1(CC23C(=O)Nc4nc5ccccc5s4)C
InChi [?]:
InChI=1/C17H18N2OS/c1-15-9-17(12(15)7-8-16(15,17)2)13(20)19-14-18-10-5-3-4-6-11(10)21-14/h3-6,12H,7-9H2,1-2H3,(H,18,19,20)
InChi Info:
AuxInfo=1/1/N:21,1,16,17,15,18,4,3,7,14,19,5,9,12,6,2,8,13,11,10,20/rA:21cCCCCCCCCCONCNCCCCCCSC/rB:s1;s2;s3;s4;s2s5;s6;s2s5s7;s8;d9;s9;s11;d12;s13;s14;d15;s16;d17;d14s18;s12s19;s6;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H18N2OS
All Atoms:21
Heavy Atoms:21
Chiral Atoms:4
ZAP Information [?]
Total:9.75769
Area:484.242
Solvation:-2.34836
Coulombic:-27.8391
Bond Count [?]
All:25
Single:20
Double:5
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:298.404
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.65
LogP (Chemaxon):4.61

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