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Chemical ID: 6008871
Chemical ID:
6008871
Name [?]:
2-chloro-N-(cyclopropylmethyl)-N-[(5-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(CC2CC2)C(=O)c3ccccc3Cl
InChi [?]:
InChI=1/C17H18ClN3O2S/c1-11-8-19-17(24-11)20-15(22)10-21(9-12-6-7-12)16(23)13-4-2-3-5-14(13)18/h2-5,8,12H,6-7,9-10H2,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,21,19,22,14,15,3,12,10,2,13,18,23,8,16,5,24,4,7,11,9,17,6/E:(6,7)/rA:24nCCCNCSNCOCNCCCCCOCCCCCCCl/rB:s1;d2;s3;d4;s2s5;s5;s7;d8;s8;s10;s11;s12;s13;s13s14;s11;d16;s16;s18;d19;s20;d21;d18s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClN3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.66317 |
Area: | 562.26 |
Solvation: | -4.39334 |
Coulombic: | -42.4206 |
Bond Count [?]
All: | 26 |
Single: | 19 |
Double: | 7 |
Rotors: | 8 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 363.863 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.09 |
LogP (Chemaxon): | 2.76 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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