Chemical ID: 5460281

CC(C(=O)Nc1nc(cs1)c2ccccc2)Sc3nc4ccccc4s3
Chemical ID:
5460281
Name [?]:
2-benzothiazol-2-ylsulfanyl-N-(4-phenylthiazol-2-yl)-propanamide
SMILES [?]:
CC(C(=O)Nc1nc(cs1)c2ccccc2)Sc3nc4ccccc4s3
InChi [?]:
InChI=1/C19H15N3OS3/c1-12(25-19-21-14-9-5-6-10-16(14)26-19)17(23)22-18-20-15(11-24-18)13-7-3-2-4-8-13/h2-12H,1H3,(H,20,22,23)
InChi Info:
AuxInfo=1/1/N:1,14,13,15,22,23,12,16,21,24,9,2,11,20,8,25,3,6,18,7,19,5,4,10,17,26/E:(3,4)(7,8)/rA:26cCCCONCNCCSCCCCCCSCNCCCCCCS/rB:s1;s2;d3;s3;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s2;s17;d18;s19;s20;d21;s22;d23;d20s24;s18s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H15N3OS3
All Atoms:26
Heavy Atoms:26
Chiral Atoms:1
ZAP Information [?]
Total:12.3647
Area:607.397
Solvation:-2.8202
Coulombic:-35.6056
Bond Count [?]
All:29
Single:19
Double:10
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:397.54
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:3.91
LogP (Chemaxon):6.38

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Descriptor Annotations

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