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Chemical ID: 6003114
Chemical ID:
6003114
Name [?]:
N-[(4-methylthiazol-2-yl)carbamoylmethyl]-N-pentyl-3-phenyl-propanamide
SMILES [?]:
CCCCCN(CC(=O)Nc1nc(cs1)C)C(=O)CCc2ccccc2
InChi [?]:
InChI=1/C20H27N3O2S/c1-3-4-8-13-23(14-18(24)22-20-21-16(2)15-26-20)19(25)12-11-17-9-6-5-7-10-17/h5-7,9-10,15H,3-4,8,11-14H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,16,2,3,24,23,25,4,22,26,20,19,5,7,14,13,21,8,17,11,12,10,6,9,18,15/E:(6,7)(9,10)/rA:26nCCCCCNCCONCNCCSCCOCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s8;s10;d11;s12;d13;s11s14;s13;s6;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H27N3O2S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.1312 |
Area: | 642.78 |
Solvation: | -3.93834 |
Coulombic: | -42.9642 |
Bond Count [?]
All: | 27 |
Single: | 20 |
Double: | 7 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 373.513 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 3.33 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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