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Chemical ID: 6009464
Chemical ID:
6009464
Name [?]:
2-[2-dimethylaminoethyl-(2-phenoxyacetyl)-amino]-N-(4,5-dimethylthiazol-2-yl)-acetamide
SMILES [?]:
Cc1c(sc(n1)NC(=O)CN(CCN(C)C)C(=O)COc2ccccc2)C
InChi [?]:
InChI=1/C19H26N4O3S/c1-14-15(2)27-19(20-14)21-17(24)12-23(11-10-22(3)4)18(25)13-26-16-8-6-5-7-9-16/h5-9H,10-13H2,1-4H3,(H,20,21,24)
InChi Info:
AuxInfo=1/1/N:1,27,15,16,24,23,25,22,26,13,12,10,19,2,3,21,8,17,5,6,7,14,11,9,18,20,4/E:(3,4)(6,7)(8,9)/rA:27nCCCSCNNCOCNCCNCCCOCOCCCCCCC/rB:s1;d2;s3;s4;s2d5;s5;s7;d8;s8;s10;s11;s12;s13;s14;s14;s11;d17;s17;s19;s20;s21;d22;s23;d24;d21s25;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N4O3S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19302 |
Area: | 630.929 |
Solvation: | -6.5802 |
Coulombic: | -53.1908 |
Bond Count [?]
All: | 28 |
Single: | 21 |
Double: | 7 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 390.501 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.82 |
LogP (Chemaxon): | 1.2 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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