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Chemical ID: 7047699
Chemical ID:
7047699
Name [?]:
2-oxo-7-propoxy-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)chromene-3-carboxamide
SMILES [?]:
CCCOc1ccc2cc(c(=O)oc2c1)C(=O)Nc3nc4c(s3)CCCC4
InChi [?]:
InChI=1/C20H20N2O4S/c1-2-9-25-13-8-7-12-10-14(19(24)26-16(12)11-13)18(23)22-20-21-15-5-3-4-6-17(15)27-20/h7-8,10-11H,2-6,9H2,1H3,(H,21,22,23)
InChi Info:
AuxInfo=1/1/N:1,2,26,25,27,24,7,6,3,9,15,8,5,10,21,14,22,16,11,19,20,18,17,12,4,13,23/rA:27nCCCOCCCCCCCOOCCCONCNCCSCCCC/rB:s1;s2;s3;s4;s5;d6;s7;s8;d9;s10;d11;s11;d8s13;d5s14;s10;d16;s16;s18;d19;s20;d21;s19s22;s22;s24;s25;s21s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20N2O4S |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.19868 |
Area: | 598.54 |
Solvation: | -5.76482 |
Coulombic: | -50.4834 |
Bond Count [?]
All: | 30 |
Single: | 22 |
Double: | 8 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 384.45 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 4 |
XLogP: | 2.5 |
LogP (Chemaxon): | 3.75 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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