Chemical ID: 4673573

c1ccc(cc1)C(c2ccccc2)Nc3nc4ccccc4s3
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

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Descriptor Annotations

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