Chemical ID: 6422917

CC(C)(C)OC(=O)N1c2cscc2-c3cccnc3C1O
Chemical ID:
6422917
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)N1c2cscc2-c3cccnc3C1O
InChi [?]:
InChI=1/C15H16N2O3S/c1-15(2,3)20-14(19)17-11-8-21-7-10(11)9-5-4-6-16-12(9)13(17)18/h4-8,13,18H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,4,16,15,17,12,10,14,13,9,19,20,6,2,18,8,21,7,5,11/E:(1,2,3)/rA:21cCCCCOCONCCSCCCCCCNCCO/rB:s1;s2;s2;s2;s5;d6;s6;s8;d9;s10;s11;s9d12;s13;s14;d15;s16;d17;d14s18;s8s19;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H16N2O3S
All Atoms:21
Heavy Atoms:21
Chiral Atoms:1
ZAP Information [?]
Total:8.25546
Area:460.6
Solvation:-3.25956
Coulombic:-51.0827
Bond Count [?]
All:23
Single:17
Double:6
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:304.365
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:2.99
LogP (Chemaxon):2.56

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Descriptor Annotations

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