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Chemical ID: 7667437
Chemical ID:
7667437
Name [?]:
None
SMILES [?]:
Cc1ccccc1NC(=O)CSc2nnc(n2CCOC)c3ccncc3
InChi [?]:
InChI=1/C19H21N5O2S/c1-14-5-3-4-6-16(14)21-17(25)13-27-19-23-22-18(24(19)11-12-26-2)15-7-9-20-10-8-15/h3-10H,11-13H2,1-2H3,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,21,4,5,3,6,23,27,24,26,18,19,11,2,22,7,9,16,13,25,8,15,14,17,10,20,12/E:(7,8)(9,10)/rA:27nCCCCCCCNCOCSCNNCNCCOCCCCNCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;s12;d13;s14;d15;s13s16;s17;s18;s19;s20;s16;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N5O2S |
All Atoms: | 48 |
Heavy Atoms: | 27 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 10.6624 |
Area: | 616.071 |
Solvation: | -4.73939 |
Coulombic: | -45.0139 |
Bond Count [?]
All: | 29 |
Single: | 20 |
Double: | 9 |
Rotors: | 9 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 3.31 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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