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Chemical ID: 6199280
Chemical ID:
6199280
Name [?]:
5-bromo-N-cyclohexyl-1-cyclopropylcarbonyl-indoline-7-sulfonamide
SMILES [?]:
c1c(cc(c2c1CCN2C(=O)C3CC3)S(=O)(=O)NC4CCCCC4)Br
InChi [?]:
InChI=1/C18H23BrN2O3S/c19-14-10-13-8-9-21(18(22)12-6-7-12)17(13)16(11-14)25(23,24)20-15-4-2-1-3-5-15/h10-12,15,20H,1-9H2
InChi Info:
AuxInfo=1/0/N:22,21,23,20,24,13,14,7,8,1,3,12,6,2,19,4,5,10,25,18,9,11,16,17,15/E:(2,3)(4,5)(6,7)(23,24)/CRV:25.6/rA:25nCCCCCCCCNCOCCCSOONCCCCCCBr/rB:s1;d2;s3;d4;d1s5;s6;s7;s5s8;s9;d10;s10;s12;s12s13;s4;d15;d15;s15;s18;s19;s20;s21;s22;s19s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23BrN2O3S |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.88067 |
Area: | 536.592 |
Solvation: | -3.53414 |
Coulombic: | -25.9007 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 427.357 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.95 |
LogP (Chemaxon): | 3.07 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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