Chemical ID: 6008982

Cc1csc(n1)NC(=O)CN(CCCOC)C(=O)c2cccc(c2)Cl
Chemical ID:
6008982
Name [?]:
3-chloro-N-(3-methoxypropyl)-N-[(4-methylthiazol-2-yl)carbamoylmethyl]benzamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CCCOC)C(=O)c2cccc(c2)Cl
InChi [?]:
InChI=1/C17H20ClN3O3S/c1-12-11-25-17(19-12)20-15(22)10-21(7-4-8-24-2)16(23)13-5-3-6-14(18)9-13/h3,5-6,9,11H,4,7-8,10H2,1-2H3,(H,19,20,22)
InChi Info:
AuxInfo=1/1/N:1,16,21,13,20,22,12,14,24,10,3,2,19,23,8,17,5,25,6,7,11,9,18,15,4/rA:25nCCCSCNNCOCNCCCOCCOCCCCCCCl/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s11;d17;s17;s19;d20;s21;d22;d19s23;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H20ClN3O3S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:9.97352
Area:608.825
Solvation:-5.2471
Coulombic:-50.5622
Bond Count [?]
All:26
Single:19
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:381.878
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.22
LogP (Chemaxon):2.11

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