Chemical ID: 6009612

Cc1c(sc(n1)NC(=O)CN(CCCOC)C(=O)c2cccc(c2)Cl)C
Chemical ID:
6009612
Name [?]:
3-chloro-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-(3-methoxypropyl)benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CCCOC)C(=O)c2cccc(c2)Cl)C
InChi [?]:
InChI=1/C18H22ClN3O3S/c1-12-13(2)26-18(20-12)21-16(23)11-22(8-5-9-25-3)17(24)14-6-4-7-15(19)10-14/h4,6-7,10H,5,8-9,11H2,1-3H3,(H,20,21,23)
InChi Info:
AuxInfo=1/1/N:1,26,16,21,13,20,22,12,14,24,10,2,3,19,23,8,17,5,25,6,7,11,9,18,15,4/rA:26nCCCSCNNCOCNCCCOCCOCCCCCCClC/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;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H22ClN3O3S
All Atoms:26
Heavy Atoms:26
Chiral Atoms:0
ZAP Information [?]
Total:10.2284
Area:628.443
Solvation:-5.48267
Coulombic:-50.1664
Bond Count [?]
All:27
Single:20
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:395.904
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.07
LogP (Chemaxon):2.1

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