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Chemical ID: 5460281
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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