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Chemical ID: 7316387
Chemical ID:
7316387
Name [?]:
2-phenyl-N-(2-thienylmethyl)benzamide
SMILES [?]:
c1ccc(cc1)c2ccccc2C(=O)NCc3cccs3
InChi [?]:
InChI=1/C18H15NOS/c20-18(19-13-15-9-6-12-21-15)17-11-5-4-10-16(17)14-7-2-1-3-8-14/h1-12H,13H2,(H,19,20)
InChi Info:
AuxInfo=1/1/N:1,2,6,9,10,19,3,5,18,8,11,20,16,4,17,7,12,13,15,14,21/E:(2,3)(7,8)/rA:21nCCCCCCCCCCCCCONCCCCCS/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s12;d13;s13;s15;s16;d17;s18;d19;s17s20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H15NOS |
All Atoms: | 36 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2579 |
Area: | 495.46 |
Solvation: | -2.12863 |
Coulombic: | -25.7823 |
Bond Count [?]
All: | 23 |
Single: | 14 |
Double: | 9 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 293.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 4.14 |
LogP (Chemaxon): | 3.82 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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