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Chemical ID: 6811299
Chemical ID:
6811299
Name [?]:
2-(3-chloro-8-ethyl-9-oxo-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)-N-[2-(4-chlorophenyl)ethyl]acetamide
SMILES [?]:
CCC1C(=O)N(c2cc(ccc2O1)Cl)CC(=O)NCCc3ccc(cc3)Cl
InChi [?]:
InChI=1/C20H20Cl2N2O3/c1-2-17-20(26)24(16-11-15(22)7-8-18(16)27-17)12-19(25)23-10-9-13-3-5-14(21)6-4-13/h3-8,11,17H,2,9-10,12H2,1H3,(H,23,25)
InChi Info:
AuxInfo=1/1/N:1,2,22,26,23,25,10,11,20,19,8,15,21,24,9,7,3,12,16,4,27,14,18,6,17,5,13/E:(3,4)(5,6)/rA:27cCCCCONCCCCCCOClCCONCCCCCCCCCl/rB:s1;s2;s3;d4;s4;s6;s7;d8;s9;d10;d7s11;s3s12;s9;s6;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C20H20Cl2N2O3 |
All Atoms: | 47 |
Heavy Atoms: | 27 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 11.6259 |
Area: | 636.704 |
Solvation: | -4.29171 |
Coulombic: | -47.7997 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 407.29 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 3.96 |
LogP (Chemaxon): | 3.59 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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