Chemical ID: 6419685

c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)NCN3C(=O)C(=O)C(=O)NC3=O
Chemical ID:
6419685
Name [?]:
1-[[4-(4-aminophenyl)sulfonylphenyl]aminomethyl]hexahydropyrimidine-2,4,5,6-tetrone
SMILES [?]:
c1cc(ccc1N)S(=O)(=O)c2ccc(cc2)NCN3C(=O)C(=O)C(=O)NC3=O
InChi [?]:
InChI=1/C17H14N4O6S/c18-10-1-5-12(6-2-10)28(26,27)13-7-3-11(4-8-13)19-9-21-16(24)14(22)15(23)20-17(21)25/h1-8,19H,9,18H2,(H,20,23,25)
InChi Info:
AuxInfo=1/1/N:1,5,13,15,2,4,12,16,18,6,14,3,11,22,24,20,27,7,17,26,19,23,25,21,28,9,10,8/E:(1,2)(3,4)(5,6)(7,8)(26,27)/CRV:28.6/rA:28nCCCCCCNSOOCCCCCCNCNCOCOCONCO/rB:s1;d2;s3;d4;d1s5;s6;s3;d8;d8;s8;s11;d12;s13;d14;d11s15;s14;s17;s18;s19;d20;s20;d22;s22;d24;s24;s19s26;d27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N4O6S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.32344
Area:585.008
Solvation:-5.30176
Coulombic:-89.8873
Bond Count [?]
All:30
Single:18
Double:12
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:402.382
H-Bond Donors:4
H-Bond Acceptors:10
XLogP:-0.85
LogP (Chemaxon):0.86

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Descriptor Annotations

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