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Chemical ID: 5718611
Chemical ID:
5718611
Name [?]:
2-(4-amino-6-hydroxy-pyrimidin-2-yl)sulfanyl-N-(2-isopropylphenyl)-acetamide
SMILES [?]:
CC(C)c1ccccc1NC(=O)CSc2nc(cc(n2)O)N
InChi [?]:
InChI=1/C15H18N4O2S/c1-9(2)10-5-3-4-6-11(10)17-14(21)8-22-15-18-12(16)7-13(20)19-15/h3-7,9H,8H2,1-2H3,(H,17,21)(H3,16,18,19,20)
InChi Info:
AuxInfo=1/1/N:1,3,6,7,5,8,18,13,2,4,9,17,19,11,15,22,10,16,20,21,12,14/E:(1,2)/rA:22nCCCCCCCCCNCOCSCNCCCNON/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;s10;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H18N4O2S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.68898 |
Area: | 533.684 |
Solvation: | -3.65312 |
Coulombic: | -64.8618 |
Bond Count [?]
All: | 23 |
Single: | 16 |
Double: | 7 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 318.395 |
H-Bond Donors: | 4 |
H-Bond Acceptors: | 4 |
XLogP: | 2.46 |
LogP (Chemaxon): | 2.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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