Chemical ID: 6042699

CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NCCC(C)C
Chemical ID:
6042699
Name [?]:
5-[[8-(1,1-dimethylpropyl)-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl]methyl]-N-isopentyl-furan-2-carboxamide
SMILES [?]:
CCC(C)(C)c1ccc2c(c1)N(C(=O)CO2)Cc3ccc(o3)C(=O)NCCC(C)C
InChi [?]:
InChI=1/C24H32N2O4/c1-6-24(4,5)17-7-9-20-19(13-17)26(22(27)15-29-20)14-18-8-10-21(30-18)23(28)25-12-11-16(2)3/h7-10,13,16H,6,11-12,14-15H2,1-5H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,29,30,4,5,2,7,19,8,20,27,26,11,17,15,28,6,18,10,9,21,13,23,3,25,12,14,24,16,22/E:(2,3)(4,5)/rA:30nCCCCCCCCCCCNCOCOCCCCCOCONCCCCC/rB:s1;s2;s3;s3;s3;s6;d7;s8;d9;d6s10;s10;s12;d13;s13;s9s15;s12;s17;d18;s19;d20;s18s21;s21;d23;s23;s25;s26;s27;s28;s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H32N2O4
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:12.6858
Area:650.894
Solvation:-3.58661
Coulombic:-57.9249
Bond Count [?]
All:32
Single:25
Double:7
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:412.522
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:4.86
LogP (Chemaxon):3.55

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Descriptor Annotations

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