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Chemical ID: 4673573
Chemical ID:
4673573
Name [?]:
N-benzhydrylbenzothiazol-2-amine
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)Nc3nc4ccccc4s3
InChi [?]:
InChI=1/C20H16N2S/c1-3-9-15(10-4-1)19(16-11-5-2-6-12-16)22-20-21-17-13-7-8-14-18(17)23-20/h1-14,19H,(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,19,20,3,5,9,13,18,21,4,8,17,22,7,15,16,14,23/E:(1,2)(3,4,5,6)(9,10,11,12)(15,16)/rA:23nCCCCCCCCCCCCCNCNCCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;s14;d15;s16;s17;d18;s19;d20;d17s21;s15s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H16N2S |
All Atoms: | 23 |
Heavy Atoms: | 23 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.3693 |
Area: | 523.119 |
Solvation: | -1.70871 |
Coulombic: | -23.4246 |
Bond Count [?]
All: | 26 |
Single: | 16 |
Double: | 10 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 316.421 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 4.86 |
LogP (Chemaxon): | 6.28 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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