Chemical ID: 6158792

CC1(Cc2c(sc(n2)NC(=O)c3cccc(c3)Br)C(=O)C1)C
Chemical ID:
6158792
Name [?]:
3-bromo-N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-benzamide
SMILES [?]:
CC1(Cc2c(sc(n2)NC(=O)c3cccc(c3)Br)C(=O)C1)C
InChi [?]:
InChI=1/C16H15BrN2O2S/c1-16(2)7-11-13(12(20)8-16)22-15(18-11)19-14(21)9-4-3-5-10(17)6-9/h3-6H,7-8H2,1-2H3,(H,18,19,21)
InChi Info:
AuxInfo=1/1/N:1,22,14,13,15,17,3,21,12,16,4,19,5,10,7,2,18,8,9,20,11,6/E:(1,2)/rA:22nCCCCCSCNNCOCCCCCCBrCOCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s16;s5;d19;s2s19;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H15BrN2O2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:9.69907
Area:510.659
Solvation:-3.06741
Coulombic:-34.9869
Bond Count [?]
All:24
Single:17
Double:7
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:379.273
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.26
LogP (Chemaxon):3.5

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Descriptor Annotations

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