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Chemical ID: 6042699
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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