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Chemical ID: 6041891
Chemical ID:
6041891
Name [?]:
N-cyclopropyl-4-(4-oxo-8-tert-butyl-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-butanamide
SMILES [?]:
CC(C)(C)c1ccc2c(c1)N(C(=O)CO2)CCCC(=O)NC3CC3
InChi [?]:
InChI=1/C19H26N2O3/c1-19(2,3)13-6-9-16-15(11-13)21(18(23)12-24-16)10-4-5-17(22)20-14-7-8-14/h6,9,11,14H,4-5,7-8,10,12H2,1-3H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,3,4,17,18,6,23,24,7,16,10,14,5,22,9,8,19,12,2,21,11,20,13,15/E:(1,2,3)(7,8)/rA:24nCCCCCCCCCCNCOCOCCCCONCCC/rB:s1;s2;s2;s2;s5;d6;s7;d8;d5s9;s9;s11;d12;s12;s8s14;s11;s16;s17;s18;d19;s19;s21;s22;s22s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H26N2O3 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 10.2833 |
Area: | 564.962 |
Solvation: | -3.84074 |
Coulombic: | -45.3332 |
Bond Count [?]
All: | 26 |
Single: | 21 |
Double: | 5 |
Rotors: | 7 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 330.421 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.84 |
LogP (Chemaxon): | 1.98 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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