Chemical ID: 7215718

C=CCn1c(=O)cc(nc1SCC(=O)Nc2ccc(cc2)S(=O)(=O)N)N
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

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Descriptor Annotations

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