Chemical ID: 6216793

CC1(Cc2c(sc(n2)NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)C(=O)C1)C
Chemical ID:
6216793
Name [?]:
N-(5,5-dimethyl-7-oxo-4,6-dihydrobenzothiazol-2-yl)-4-(1-piperidylsulfonyl)benzamide
SMILES [?]:
CC1(Cc2c(sc(n2)NC(=O)c3ccc(cc3)S(=O)(=O)N4CCCCC4)C(=O)C1)C
InChi [?]:
InChI=1/C21H25N3O4S2/c1-21(2)12-16-18(17(25)13-21)29-20(22-16)23-19(26)14-6-8-15(9-7-14)30(27,28)24-10-4-3-5-11-24/h6-9H,3-5,10-13H2,1-2H3,(H,22,23,26)
InChi Info:
AuxInfo=1/1/N:1,30,24,23,25,13,17,14,16,22,26,3,29,12,15,4,27,5,10,7,2,8,9,21,28,11,19,20,6,18/E:(1,2)(4,5)(6,7)(8,9)(10,11)(27,28)/CRV:30.6/rA:30nCCCCCSCNNCOCCCCCCSOONCCCCCCOCC/rB:s1;s2;s3;d4;s5;s6;s4d7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;d18;d18;s18;s21;s22;s23;s24;s21s25;s5;d27;s2s27;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25N3O4S2
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.6821
Area:643.198
Solvation:-4.39788
Coulombic:-41.3415
Bond Count [?]
All:33
Single:24
Double:9
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:447.573
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:2.42
LogP (Chemaxon):2.56

Name Annotations

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Descriptor Annotations

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