Chemical ID: 5941605

CC(C)(C)CC(=O)Nc1cccc(c1)c2csc(n2)N3CCCCC3
Chemical ID:
5941605
Name [?]:
3,3-dimethyl-N-[3-[2-(1-piperidyl)thiazol-4-yl]phenyl]-butanamide
SMILES [?]:
CC(C)(C)CC(=O)Nc1cccc(c1)c2csc(n2)N3CCCCC3
InChi [?]:
InChI=1/C20H27N3OS/c1-20(2,3)13-18(24)21-16-9-7-8-15(12-16)17-14-25-19(22-17)23-10-5-4-6-11-23/h7-9,12,14H,4-6,10-11,13H2,1-3H3,(H,21,24)
InChi Info:
AuxInfo=1/1/N:1,3,4,23,22,24,11,12,10,21,25,14,5,16,13,9,15,6,18,2,8,19,20,7,17/E:(1,2,3)(5,6)(10,11)/rA:25nCCCCCCONCCCCCCCCSCNNCCCCC/rB:s1;s2;s2;s2;s5;d6;s6;s8;s9;d10;s11;d12;d9s13;s13;d15;s16;s17;s15d18;s18;s20;s21;s22;s23;s20s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H27N3OS
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:11.659
Area:578.949
Solvation:-2.81473
Coulombic:-34.0838
Bond Count [?]
All:27
Single:21
Double:6
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:357.514
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:5.12
LogP (Chemaxon):5.49

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Descriptor Annotations

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