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Chemical ID: 4954919
Chemical ID:
4954919
Name [?]:
2-(4-chlorophenyl)sulfanyl-N,N-dipentyl-acetamide
SMILES [?]:
CCCCCN(CCCCC)C(=O)CSc1ccc(cc1)Cl
InChi [?]:
InChI=1/C18H28ClNOS/c1-3-5-7-13-20(14-8-6-4-2)18(21)15-22-17-11-9-16(19)10-12-17/h9-12H,3-8,13-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,11,2,10,3,9,4,8,18,20,17,21,5,7,14,19,16,12,22,6,13,15/E:(1,2)(3,4)(5,6)(7,8)(9,10)(11,12)(13,14)/rA:22nCCCCCNCCCCCCOCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;s8;s9;s10;s6;d12;s12;s14;s15;s16;d17;s18;d19;d16s20;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H28ClNOS |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 12.9472 |
Area: | 614.732 |
Solvation: | -2.42115 |
Coulombic: | -19.7377 |
Bond Count [?]
All: | 22 |
Single: | 18 |
Double: | 4 |
Rotors: | 12 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 341.94 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 6.27 |
LogP (Chemaxon): | 5.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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