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Chemical ID: 6147846
Chemical ID:
6147846
Name [?]:
2-(4-methyl-2-oxo-chromen-7-yl)oxy-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)propanamide
SMILES [?]:
Cc1cc(=O)oc2c1ccc(c2)OC(C)C(=O)Nc3nc4c(s3)CCCC4
InChi [?]:
InChI=1/C20H20N2O4S/c1-11-9-18(23)26-16-10-13(7-8-14(11)16)25-12(2)19(24)22-20-21-15-5-3-4-6-17(15)27-20/h7-10,12H,3-6H2,1-2H3,(H,21,22,24)
InChi Info:
AuxInfo=1/1/N:1,15,26,25,27,24,10,9,3,12,2,14,11,8,21,7,22,4,16,19,20,18,5,17,13,6,23/rA:27cCCCCOOCCCCCCOCCCONCNCCSCCCC/rB:s1;d2;s3;d4;s4;s6;s2s7;d8;s9;d10;d7s11;s11;s13;s14;s14;d16;s16;s18;d19;s20;d21;s19s22;s22;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O4S |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.23789 |
Area: | 595.762 |
Solvation: | -5.65617 |
Coulombic: | -51.1295 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 384.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.45 |
LogP (Chemaxon): | 3.97 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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