Chemical ID: 6705979

Cc1ccc(cc1)N2C(=O)CC(C2=O)Sc3ccccc3C(=O)[O-]
Chemical ID:
6705979
Name [?]:
2-[2,5-dioxo-1-(p-tolyl)pyrrolidin-3-yl]sulfanylbenzoate
SMILES [?]:
Cc1ccc(cc1)N2C(=O)CC(C2=O)Sc3ccccc3C(=O)[O-]
InChi [?]:
InChI=1/C18H15NO4S/c1-11-6-8-12(9-7-11)19-16(20)10-15(17(19)21)24-14-5-3-2-4-13(14)18(22)23/h2-9,15H,10H2,1H3,(H,22,23)/p-1
InChi Info:
AuxInfo=1/1/N:1,19,18,20,17,3,7,4,6,11,2,5,21,16,12,9,13,22,8,10,14,23,24,15/E:(6,7)(8,9)(22,23)/rA:24cCCCCCCCNCOCCCOSCCCCCCCOO-/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;s8s12;d13;s12;s15;s16;d17;s18;d19;d16s20;s21;d22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H14NO4S-
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:-31.6008
Area:516.441
Solvation:-44.5118
Coulombic:-23.8373
Bond Count [?]
All:26
Single:17
Double:9
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:340.374
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.31
LogP (Chemaxon):3.05

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Descriptor Annotations

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