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Chemical ID: 5537772
Chemical ID:
5537772
Name [?]:
N-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-yl)-2-methoxy-2-phenyl-acetamide
SMILES [?]:
COC(c1ccccc1)C(=O)Nc2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C17H17NO4/c1-20-16(12-5-3-2-4-6-12)17(19)18-13-7-8-14-15(11-13)22-10-9-21-14/h2-8,11,16H,9-10H2,1H3,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,7,6,8,5,9,14,15,21,20,18,4,13,16,17,3,10,12,11,2,22,19/E:(3,4)(5,6)/rA:22cCOCCCCCCCCONCCCCCCOCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s3;d10;s10;s12;s13;d14;s15;d16;d13s17;s17;s19;s20;s16s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H17NO4 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 6.93689 |
Area: | 492.657 |
Solvation: | -5.37955 |
Coulombic: | -46.6085 |
Bond Count [?]
All: | 24 |
Single: | 17 |
Double: | 7 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 299.321 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 1.95 |
LogP (Chemaxon): | 2.38 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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