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Chemical ID: 6007518
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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