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Chemical ID: 3886270
Chemical ID:
3886270
Name [?]:
2-(2-aminophenyl)sulfanyl-N-phenyl-acetamide
SMILES [?]:
c1ccc(cc1)NC(=O)CSc2ccccc2N
InChi [?]:
InChI=1/C14H14N2OS/c15-12-8-4-5-9-13(12)18-10-14(17)16-11-6-2-1-3-7-11/h1-9H,10,15H2,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,15,14,3,5,16,13,10,4,17,12,8,18,7,9,11/E:(2,3)(6,7)/rA:18nCCCCCCNCOCSCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s8;s10;s11;s12;d13;s14;d15;d12s16;s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2OS |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.34655 |
Area: | 452.936 |
Solvation: | -2.97685 |
Coulombic: | -38.2609 |
Bond Count [?]
All: | 19 |
Single: | 12 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 258.34 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 3 |
XLogP: | 2.42 |
LogP (Chemaxon): | 2.68 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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