Chemical ID: 6004508

CC(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)C3CCCC3
Chemical ID:
6004508
Name [?]:
N-[1-[[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]carbamoyl]ethyl]cyclopentanecarboxamide
SMILES [?]:
CC(C(=O)Nc1nnc(s1)c2ccc(cc2)OC)NC(=O)C3CCCC3
InChi [?]:
InChI=1/C18H22N4O3S/c1-11(19-16(24)12-5-3-4-6-12)15(23)20-18-22-21-17(26-18)13-7-9-14(25-2)10-8-13/h7-12H,3-6H2,1-2H3,(H,19,24)(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,18,24,25,23,26,12,16,13,15,2,22,11,14,3,20,9,6,19,5,8,7,4,21,17,10/E:(3,4)(5,6)(7,8)(9,10)/rA:26cCCCONCNNCSCCCCCCOCNCOCCCCC/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s9;s11;d12;s13;d14;d11s15;s14;s17;s2;s19;d20;s20;s22;s23;s24;s22s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22N4O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:10.4493
Area:605.842
Solvation:-4.69677
Coulombic:-53.6788
Bond Count [?]
All:28
Single:21
Double:7
Rotors:8
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:374.458
H-Bond Donors:2
H-Bond Acceptors:5
XLogP:3.42
LogP (Chemaxon):2.27

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue