Chemical ID: 6042581

CCC(C)NC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C(C)(C)C
Chemical ID:
6042581
Name [?]:
5-[(9-oxo-3-tert-butyl-7-oxa-10-azabicyclo[4.4.0]deca-2,4,11-trien-10-yl)methyl]-N-sec-butyl-furan-2-carboxamide
SMILES [?]:
CCC(C)NC(=O)c1ccc(o1)CN2c3cc(ccc3OCC2=O)C(C)(C)C
InChi [?]:
InChI=1/C22H28N2O4/c1-6-14(2)23-21(26)19-10-8-16(28-19)12-24-17-11-15(22(3,4)5)7-9-18(17)27-13-20(24)25/h7-11,14H,6,12-13H2,1-5H3,(H,23,26)
InChi Info:
AuxInfo=1/1/N:1,4,26,27,28,2,18,10,19,9,16,13,22,3,17,11,15,20,8,23,6,25,5,14,24,7,21,12/E:(3,4,5)/rA:28cCCCCNCOCCCCOCNCCCCCCOCCOCCCC/rB:s1;s2;s3;s3;s5;d6;s6;d8;s9;d10;s8s11;s11;s13;s14;s15;d16;s17;d18;d15s19;s20;s21;s14s22;d23;s17;s25;s25;s25;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H28N2O4
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.0607
Area:604.42
Solvation:-4.04981
Coulombic:-56.4561
Bond Count [?]
All:30
Single:23
Double:7
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:384.469
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.68
LogP (Chemaxon):2.84

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Descriptor Annotations

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