Chemical ID: 5914072

Cc1c(sc(n1)NC(=O)CN(CC2CCCO2)C(=O)c3ccc(cc3)Cl)C
Chemical ID:
5914072
Name [?]:
4-chloro-N-[(4,5-dimethylthiazol-2-yl)carbamoylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CC2CCCO2)C(=O)c3ccc(cc3)Cl)C
InChi [?]:
InChI=1/C19H22ClN3O3S/c1-12-13(2)27-19(21-12)22-17(24)11-23(10-16-4-3-9-26-16)18(25)14-5-7-15(20)8-6-14/h5-8,16H,3-4,9-11H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,27,15,14,21,25,22,24,16,12,10,2,3,20,23,13,8,18,5,26,6,7,11,9,19,17,4/E:(5,6)(7,8)/rA:27cCCCSCNNCOCNCCCCCOCOCCCCCCClC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s11;d18;s18;s20;d21;s22;d23;d20s24;s23;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H22ClN3O3S
All Atoms:27
Heavy Atoms:27
Chiral Atoms:1
ZAP Information [?]
Total:9.82045
Area:623.593
Solvation:-5.76936
Coulombic:-49.6217
Bond Count [?]
All:29
Single:22
Double:7
Rotors:8
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:407.915
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.26
LogP (Chemaxon):2.45

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Descriptor Annotations

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