Chemical ID: 6216799

CC1(Cc2c(sc(n2)NC(=O)c3cccc(c3)Oc4ccccc4)C(=O)C1)C
Chemical ID:
6216799
Name [?]:
N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-3-phenoxy-benzamide
SMILES [?]:
CC1(Cc2c(sc(n2)NC(=O)c3cccc(c3)Oc4ccccc4)C(=O)C1)C
InChi [?]:
InChI=1/C22H20N2O3S/c1-22(2)12-17-19(18(25)13-22)28-21(23-17)24-20(26)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-11H,12-13H2,1-2H3,(H,23,24,26)
InChi Info:
AuxInfo=1/1/N:1,28,22,21,23,14,13,20,24,15,17,3,27,12,19,16,4,25,5,10,7,2,8,9,26,11,18,6/E:(1,2)(4,5)(8,9)/rA:28nCCCCCSCNNCOCCCCCCOCCCCCCCOCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s18;s19;d20;s21;d22;d19s23;s5;d25;s2s25;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6701
Area:588.349
Solvation:-4.0386
Coulombic:-43.361
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:392.472
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.95
LogP (Chemaxon):4.14

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Descriptor Annotations

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