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Chemical ID: 7297781
Chemical ID:
7297781
Name [?]:
N-cycloheptyl-4-methyl-3-morpholinosulfonyl-benzamide
SMILES [?]:
Cc1ccc(cc1S(=O)(=O)N2CCOCC2)C(=O)NC3CCCCCC3
InChi [?]:
InChI=1/C19H28N2O4S/c1-15-8-9-16(19(22)20-17-6-4-2-3-5-7-17)14-18(15)26(23,24)21-10-12-25-13-11-21/h8-9,14,17H,2-7,10-13H2,1H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,23,24,22,25,21,26,3,4,12,16,13,15,6,2,5,20,7,17,19,11,18,9,10,14,8/E:(2,3)(4,5)(6,7)(10,11)(12,13)(23,24)/CRV:26.6/rA:26nCCCCCCCSOONCCOCCCONCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;d8;d8;s8;s11;s12;s13;s14;s11s15;s5;d17;s17;s19;s20;s21;s22;s23;s24;s20s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H28N2O4S |
All Atoms: | 54 |
Heavy Atoms: | 26 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2768 |
Area: | 568.725 |
Solvation: | -3.94133 |
Coulombic: | -37.9846 |
Bond Count [?]
All: | 28 |
Single: | 22 |
Double: | 6 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 380.503 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 2.74 |
LogP (Chemaxon): | 2.18 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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