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Chemical ID: 5583884
Chemical ID:
5583884
Name [?]:
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(5-methylthiazol-2-yl)-propanamide
SMILES [?]:
Cc1cnc(s1)NC(=O)C(C)N2C(=O)C3CCCCC3C2=O
InChi [?]:
InChI=1/C15H19N3O3S/c1-8-7-16-15(22-8)17-12(19)9(2)18-13(20)10-5-3-4-6-11(10)14(18)21/h7,9-11H,3-6H2,1-2H3,(H,16,17,19)
InChi Info:
AuxInfo=1/1/N:1,11,17,18,16,19,3,2,10,15,20,8,13,21,5,4,7,12,9,14,22,6/E:(3,4)(5,6)(10,11)(13,14)(20,21)/rA:22cCCCNCSNCOCCNCOCCCCCCCO/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s10;s12;d13;s13;s15;s16;s17;s18;s15s19;s12s20;d21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H19N3O3S |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 3 |
ZAP Information [?]
Total: | 7.96184 |
Area: | 498.834 |
Solvation: | -4.50901 |
Coulombic: | -48.2636 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 321.396 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 0.24 |
LogP (Chemaxon): | 1.46 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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