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Chemical ID: 7215718
Chemical ID:
7215718
Name [?]:
2-(1-allyl-4-amino-6-oxo-pyrimidin-2-yl)sulfanyl-N-(4-sulfamoylphenyl)-acetamide
SMILES [?]:
C=CCn1c(=O)cc(nc1SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)N
InChi [?]:
InChI=1/C15H17N5O4S2/c1-2-7-20-14(22)8-12(16)19-15(20)25-9-13(21)18-10-3-5-11(6-4-10)26(17,23)24/h2-6,8H,1,7,9,16H2,(H,18,21)(H2,17,23,24)
InChi Info:
AuxInfo=1/1/N:1,2,17,21,18,20,3,7,12,16,19,8,13,5,10,26,25,15,9,4,14,6,23,24,11,22/E:(3,4)(5,6)(23,24)/CRV:26.6/rA:26nCCCNCOCCNCSCCONCCCCCCSOONN/rB:d1;s2;s3;s4;d5;s5;d7;s8;s4d9;s10;s11;s12;d13;s13;s15;s16;d17;s18;d19;d16s20;s19;d22;d22;s22;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H17N5O4S2 |
All Atoms: | 43 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2437 |
Area: | 599.253 |
Solvation: | -4.73766 |
Coulombic: | -74.6254 |
Bond Count [?]
All: | 27 |
Single: | 17 |
Double: | 10 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 395.459 |
H-Bond Donors: | 5 |
H-Bond Acceptors: | 7 |
XLogP: | -0.86 |
LogP (Chemaxon): | 1.1 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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