Chemical ID: 3987977

CCCCC(c1nc(cs1)C(=O)NCc2cc(cc(c2)OC)OC)N
Chemical ID:
3987977
Name [?]:
2-(1-aminopentyl)-N-[(3,5-dimethoxyphenyl)methyl]thiazole-4-carboxamide
SMILES [?]:
CCCCC(c1nc(cs1)C(=O)NCc2cc(cc(c2)OC)OC)N
InChi [?]:
InChI=1/C18H25N3O3S/c1-4-5-6-15(19)18-21-16(11-25-18)17(22)20-10-12-7-13(23-2)9-14(8-12)24-3/h7-9,11,15H,4-6,10,19H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,22,24,2,3,4,20,16,18,14,9,15,19,17,5,8,11,6,25,13,7,12,21,23,10/E:(2,3)(7,8)(13,14)(23,24)/rA:25cCCCCCCNCCSCONCCCCCCCOCOCN/rB:s1;s2;s3;s4;s5;d6;s7;d8;s6s9;s8;d11;s11;s13;s14;s15;d16;s17;d18;d15s19;s19;s21;s17;s23;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H25N3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:1
ZAP Information [?]
Total:10.958
Area:619.556
Solvation:-4.53094
Coulombic:-55.7388
Bond Count [?]
All:26
Single:20
Double:6
Rotors:10
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:363.476
H-Bond Donors:3
H-Bond Acceptors:5
XLogP:2.64
LogP (Chemaxon):2.14

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Descriptor Annotations

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