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Chemical ID: 6215252
Chemical ID:
6215252
Name [?]:
2,6-dimethyl-4-(2,4,6-triisopropylphenyl)sulfonyl-morpholine
SMILES [?]:
CC1CN(CC(O1)C)S(=O)(=O)c2c(cc(cc2C(C)C)C(C)C)C(C)C
InChi [?]:
InChI=1/C21H35NO3S/c1-13(2)18-9-19(14(3)4)21(20(10-18)15(5)6)26(23,24)22-11-16(7)25-17(8)12-22/h9-10,13-17H,11-12H2,1-8H3
InChi Info:
AuxInfo=1/0/N:22,23,19,20,25,26,1,8,16,14,3,5,21,18,24,2,6,15,17,13,12,4,10,11,7,9/E:(1,2)(3,4,5,6)(7,8)(9,10)(11,12)(14,15)(16,17)(19,20)(23,24)/CRV:26.6/rA:26cCCCNCCOCSOOCCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;d9;s9;s12;d13;s14;d15;d12s16;s17;s18;s18;s15;s21;s21;s13;s24;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H35NO3S |
All Atoms: | 26 |
Heavy Atoms: | 26 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 11.7625 |
Area: | 571.339 |
Solvation: | -2.52094 |
Coulombic: | -18.9628 |
Bond Count [?]
All: | 27 |
Single: | 22 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 381.574 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 5.42 |
LogP (Chemaxon): | 5.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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