Chemical ID: 6008922

Cc1cnc(s1)NC(=O)CN(CC2CC2)C(=O)c3cccc(c3)Cl
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

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