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Chemical ID: 6201937
Chemical ID:
6201937
Name [?]:
5-bromo-1-cyclopropylcarbonyl-N-[3-(3-methyl-1-piperidyl)propyl]indoline-7-sulfonamide
SMILES [?]:
CC1CCCN(C1)CCCNS(=O)(=O)c2cc(cc3c2N(CC3)C(=O)C4CC4)Br
InChi [?]:
InChI=1/C21H30BrN3O3S/c1-15-4-2-9-24(14-15)10-3-8-23-29(27,28)19-13-18(22)12-17-7-11-25(20(17)19)21(26)16-5-6-16/h12-13,15-16,23H,2-11,14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,4,9,3,27,28,23,10,5,8,22,18,16,7,2,26,19,17,15,20,24,29,11,6,21,25,13,14,12/E:(5,6)(27,28)/CRV:29.6/rA:29cCCCCCNCCCCNSOOCCCCCCNCCCOCCCBr/rB:s1;s2;s3;s4;s5;s2s6;s6;s8;s9;s10;s11;d12;d12;s12;s15;d16;s17;d18;d15s19;s20;s21;s19s22;s21;d24;s24;s26;s26s27;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H30BrN3O3S |
All Atoms: | 29 |
Heavy Atoms: | 29 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.7718 |
Area: | 643.356 |
Solvation: | -4.31204 |
Coulombic: | -30.1434 |
Bond Count [?]
All: | 32 |
Single: | 26 |
Double: | 6 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 484.451 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.49 |
LogP (Chemaxon): | 1.52 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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