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Chemical ID: 6008922
Chemical ID:
6008922
Name [?]:
3-chloro-N-(cyclopropylmethyl)-N-[(5-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1cnc(s1)NC(=O)CN(CC2CC2)C(=O)c3cccc(c3)Cl
InChi [?]:
InChI=1/C17H18ClN3O2S/c1-11-8-19-17(24-11)20-15(22)10-21(9-12-5-6-12)16(23)13-3-2-4-14(18)7-13/h2-4,7-8,12H,5-6,9-10H2,1H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,20,19,21,14,15,23,3,12,10,2,13,18,22,8,16,5,24,4,7,11,9,17,6/E:(5,6)/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;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H18ClN3O2S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2023 |
Area: | 575.982 |
Solvation: | -4.19726 |
Coulombic: | -42.6454 |
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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