Chemical ID: 6003314

Cc1csc(n1)NC(=O)CN(CC2CCCO2)C(=O)Cc3ccc(cc3)OC
Chemical ID:
6003314
Name [?]:
2-[[2-(4-methoxyphenyl)acetyl]-(tetrahydrofuran-2-ylmethyl)amino]-N-(4-methylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1csc(n1)NC(=O)CN(CC2CCCO2)C(=O)Cc3ccc(cc3)OC
InChi [?]:
InChI=1/C20H25N3O4S/c1-14-13-28-20(21-14)22-18(24)12-23(11-17-4-3-9-27-17)19(25)10-15-5-7-16(26-2)8-6-15/h5-8,13,17H,3-4,9-12H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,28,15,14,22,26,23,25,16,20,12,10,3,2,21,24,13,8,18,5,6,7,11,9,19,27,17,4/E:(5,6)(7,8)/rA:28cCCCSCNNCOCNCCCCCOCOCCCCCCCOC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s15;s13s16;s11;d18;s18;s20;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H25N3O4S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:8.965
Area:628.095
Solvation:-6.73737
Coulombic:-55.7691
Bond Count [?]
All:30
Single:23
Double:7
Rotors:10
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:403.496
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.51
LogP (Chemaxon):1.8

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Descriptor Annotations

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