Chemical ID: 6201900

CCC1CCCCN1S(=O)(=O)c2cc(cc3c2N(CC3)C(=O)C4CC4)Br
Chemical ID:
6201900
Name [?]:
[5-bromo-7-[(2-ethyl-1-piperidyl)sulfonyl]indolin-1-yl]-cyclopropyl-methanone
SMILES [?]:
CCC1CCCCN1S(=O)(=O)c2cc(cc3c2N(CC3)C(=O)C4CC4)Br
InChi [?]:
InChI=1/C19H25BrN2O3S/c1-2-16-5-3-4-9-22(16)26(24,25)17-12-15(20)11-14-8-10-21(18(14)17)19(23)13-6-7-13/h11-13,16H,2-10H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,5,6,4,24,25,20,7,19,15,13,23,16,14,3,12,17,21,26,18,8,22,10,11,9/E:(6,7)(24,25)/CRV:26.6/rA:26cCCCCCCCNSOOCCCCCCNCCCOCCCBr/rB:s1;s2;s3;s4;s5;s6;s3s7;s8;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s18;s16s19;s18;d21;s21;s23;s23s24;s14;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H25BrN2O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:2
ZAP Information [?]
Total:9.73386
Area:534.257
Solvation:-3.62258
Coulombic:-21.1321
Bond Count [?]
All:29
Single:23
Double:6
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:441.383
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.04
LogP (Chemaxon):3.33

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Descriptor Annotations

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