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Chemical ID: 7285069
Chemical ID:
7285069
Name [?]:
2-(ethyl-(o-tolylcarbamoylmethyl)amino)-N-(2-thienylmethyl)acetamide
SMILES [?]:
CCN(CC(=O)NCc1cccs1)CC(=O)Nc2ccccc2C
InChi [?]:
InChI=1/C18H23N3O2S/c1-3-21(12-17(22)19-11-15-8-6-10-24-15)13-18(23)20-16-9-5-4-7-14(16)2/h4-10H,3,11-13H2,1-2H3,(H,19,22)(H,20,23)
InChi Info:
AuxInfo=1/1/N:1,24,2,21,20,11,22,10,19,12,8,4,14,23,9,18,5,15,7,17,3,6,16,13/rA:24cCCNCCONCCCCCSCCONCCCCCCC/rB:s1;s2;s3;s4;d5;s5;s7;s8;d9;s10;d11;s9s12;s3;s14;d15;s15;s17;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C18H23N3O2S |
All Atoms: | 47 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0527 |
Area: | 588.731 |
Solvation: | -4.66557 |
Coulombic: | -46.6313 |
Bond Count [?]
All: | 25 |
Single: | 18 |
Double: | 7 |
Rotors: | 10 |
Chiral: | 0 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 345.46 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 5 |
XLogP: | 1.39 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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