Chemical ID: 6219204

CC(C)c1ccc(cc1)c2csc(n2)NC(=O)CN3C(=O)CCC3=O
Chemical ID:
6219204
Name [?]:
2-(2,5-dioxopyrrolidin-1-yl)-N-[4-(4-isopropylphenyl)thiazol-2-yl]-acetamide
SMILES [?]:
CC(C)c1ccc(cc1)c2csc(n2)NC(=O)CN3C(=O)CCC3=O
InChi [?]:
InChI=1/C18H19N3O3S/c1-11(2)12-3-5-13(6-4-12)14-10-25-18(19-14)20-15(22)9-21-16(23)7-8-17(21)24/h3-6,10-11H,7-9H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,5,9,6,8,22,23,18,11,2,4,7,10,16,20,24,13,14,15,19,17,21,25,12/E:(1,2)(3,4)(5,6)(7,8)(16,17)(23,24)/rA:25nCCCCCCCCCCCSCNNCOCNCOCCCO/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;d10;s11;s12;s10d13;s13;s15;d16;s16;s18;s19;d20;s20;s22;s19s23;d24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H19N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.4904
Area:572.614
Solvation:-4.82494
Coulombic:-49.0126
Bond Count [?]
All:27
Single:19
Double:8
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.428
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.15
LogP (Chemaxon):2.79

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Descriptor Annotations

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