Chemical ID: 6007518

Cc1cnc(s1)NC(=O)CN(CCC(C)C)C(=O)CCC2CCCC2
Chemical ID:
6007518
Name [?]:
3-cyclopentyl-N-isopentyl-N-[(5-methylthiazol-2-yl)carbamoylmethyl]propanamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(CCC(C)C)C(=O)CCC2CCCC2
InChi [?]:
InChI=1/C19H31N3O2S/c1-14(2)10-11-22(18(24)9-8-16-6-4-5-7-16)13-17(23)21-19-20-12-15(3)25-19/h12,14,16H,4-11,13H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:15,16,1,23,24,22,25,20,19,13,12,3,10,14,2,21,8,17,5,4,7,11,9,18,6/E:(1,2)(4,5)(6,7)/rA:25nCCCNCSNCOCNCCCCCCOCCCCCCC/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;s20;s21;s22;s23;s21s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H31N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.5301
Area:623.243
Solvation:-4.05095
Coulombic:-41.7468
Bond Count [?]
All:26
Single:22
Double:4
Rotors:11
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:365.534
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.57
LogP (Chemaxon):3.38

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Descriptor Annotations

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