Chemical ID: 6003231

CCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1nc(cs1)C
Chemical ID:
6003231
Name [?]:
N-isopentyl-N-[(4-methylthiazol-2-yl)carbamoylmethyl]heptanamide
SMILES [?]:
CCCCCCC(=O)N(CCC(C)C)CC(=O)Nc1nc(cs1)C
InChi [?]:
InChI=1/C18H31N3O2S/c1-5-6-7-8-9-17(23)21(11-10-14(2)3)12-16(22)20-18-19-15(4)13-24-18/h13-14H,5-12H2,1-4H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,13,14,24,2,3,4,5,6,11,10,15,22,12,21,16,7,19,20,18,9,17,8,23/E:(2,3)/rA:24nCCCCCCCONCCCCCCCONCNCCSC/rB:s1;s2;s3;s4;s5;s6;d7;s7;s9;s10;s11;s12;s12;s9;s15;d16;s16;s18;d19;s20;d21;s19s22;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H31N3O2S
All Atoms:24
Heavy Atoms:24
Chiral Atoms:0
ZAP Information [?]
Total:12.1037
Area:629.94
Solvation:-3.6448
Coulombic:-42.4288
Bond Count [?]
All:24
Single:20
Double:4
Rotors:13
Chiral:0
Rigid Segments:9
Chemical Properties
Molecular Weight:353.524
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.1
LogP (Chemaxon):3.72

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Descriptor Annotations

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