Chemical ID: 5943682

COCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2ccc(cc2)Cl
Chemical ID:
5943682
Name [?]:
methyl 2-[[(4-chlorobenzoyl)-(3-methoxypropyl)amino]methyl]thiazole-4-carboxylate
SMILES [?]:
COCCCN(Cc1nc(cs1)C(=O)OC)C(=O)c2ccc(cc2)Cl
InChi [?]:
InChI=1/C17H19ClN2O4S/c1-23-9-3-8-20(16(21)12-4-6-13(18)7-5-12)10-15-19-14(11-25-15)17(22)24-2/h4-7,11H,3,8-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,4,20,24,21,23,5,3,7,11,19,22,10,8,17,13,25,9,6,18,14,2,15,12/E:(4,5)(6,7)/rA:25nCOCCCNCCNCCSCOOCCOCCCCCCCl/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;s8s11;s10;d13;s13;s15;s6;d17;s17;s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19ClN2O4S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.1542
Area:609.412
Solvation:-5.08107
Coulombic:-51.4675
Bond Count [?]
All:26
Single:19
Double:7
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:382.863
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.53
LogP (Chemaxon):1.93

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