Chemical ID: 6277605

COC(=O)Cn1c2ccccc2sc1=NC(=O)C(c3ccccc3)c4ccccc4
Chemical ID:
6277605
Name [?]:
methyl 2-[2-(2,2-diphenylacetyl)iminobenzothiazol-3-yl]acetate
SMILES [?]:
COC(=O)Cn1c2ccccc2sc1=NC(=O)C(c3ccccc3)c4ccccc4
InChi [?]:
InChI=1/C24H20N2O3S/c1-29-21(27)16-26-19-14-8-9-15-20(19)30-24(26)25-23(28)22(17-10-4-2-5-11-17)18-12-6-3-7-13-18/h2-15,22H,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,22,28,21,23,27,29,9,10,20,24,26,30,8,11,5,19,25,7,12,3,18,16,14,15,6,4,17,2,13/E:(2,3)(4,5,6,7)(10,11,12,13)(17,18)/rA:30nCOCOCNCCCCCCSCNCOCCCCCCCCCCCCC/rB:s1;s2;d3;s3;s5;s6;s7;d8;s9;d10;d7s11;s12;s6s13;w14;s15;d16;s16;s18;s19;d20;s21;d22;d19s23;s18;s25;d26;s27;d28;d25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:10.6523
Area:595.375
Solvation:-4.23209
Coulombic:-44.462
Bond Count [?]
All:33
Single:21
Double:12
Rotors:7
Chiral:1
Rigid Segments:6
Chemical Properties
Molecular Weight:416.493
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.03
LogP (Chemaxon):6.09

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Descriptor Annotations

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