Chemical ID: 7626305

CC(C)(C)OC(=O)c1c2n(cn1)-c3ccsc3C(=O)N(C2)C
Chemical ID:
7626305
Name [?]:
None
SMILES [?]:
CC(C)(C)OC(=O)c1c2n(cn1)-c3ccsc3C(=O)N(C2)C
InChi [?]:
InChI=1/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,3,4,22,14,15,21,11,13,9,8,17,18,6,2,12,20,10,19,7,5,16/E:(1,2,3)/rA:22nCCCCOCOCCNCNCCCSCCONCC/rB:s1;s2;s2;s2;s5;d6;s6;d8;s9;s10;s8d11;s10;s13;d14;s15;d13s16;s17;d18;s18;s9s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H17N3O3S
All Atoms:39
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:9.36233
Area:487.336
Solvation:-2.82106
Coulombic:-48.9062
Bond Count [?]
All:24
Single:18
Double:6
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:1.99
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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