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Chemical ID: 6201930
Chemical ID:
6201930
Name [?]:
5-bromo-1-cyclopropylcarbonyl-N-[3-(1-piperidyl)propyl]indoline-7-sulfonamide
SMILES [?]:
c1c(cc(c2c1CCN2C(=O)C3CC3)S(=O)(=O)NCCCN4CCCCC4)Br
InChi [?]:
InChI=1/C20H28BrN3O3S/c21-17-13-16-7-12-24(20(25)15-5-6-15)19(16)18(14-17)28(26,27)22-8-4-11-23-9-2-1-3-10-23/h13-15,22H,1-12H2
InChi Info:
AuxInfo=1/0/N:25,24,26,20,13,14,7,19,23,27,21,8,1,3,12,6,2,4,5,10,28,18,22,9,11,16,17,15/E:(2,3)(5,6)(9,10)(26,27)/CRV:28.6/rA:28nCCCCCCCCNCOCCCSOONCCCNCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s9;d10;s10;s12;s12s13;s4;d15;d15;s15;s18;s19;s20;s21;s22;s23;s24;s25;s22s26;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H28BrN3O3S |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.0989 |
Area: | 619.403 |
Solvation: | -4.38617 |
Coulombic: | -29.1674 |
Bond Count [?]
All: | 31 |
Single: | 25 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 470.425 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.19 |
LogP (Chemaxon): | 1.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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