Chemical ID: 6003114

CCCCCN(CC(=O)Nc1nc(cs1)C)C(=O)CCc2ccccc2
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

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Descriptor Annotations

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