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Chemical ID: 3951389
Chemical ID:
3951389
Name [?]:
N-isopropyl-2-(3-isopropyl-8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)C(O2)C(C)C)CC(=O)NC(C)C
InChi [?]:
InChI=1/C17H24N2O3/c1-10(2)16-17(21)19(9-15(20)18-11(3)4)13-8-12(5)6-7-14(13)22-16/h6-8,10-11,16H,9H2,1-5H3,(H,18,20)
InChi Info:
AuxInfo=1/1/N:14,15,21,22,1,3,4,7,16,13,20,2,6,5,17,11,9,19,8,18,10,12/E:(1,2)(3,4)/rA:22cCCCCCCCNCOCOCCCCCONCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s11;s13;s13;s8;s16;d17;s17;s19;s20;s20;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H24N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.88555 |
Area: | 507.132 |
Solvation: | -3.79276 |
Coulombic: | -46.5057 |
Bond Count [?]
All: | 23 |
Single: | 18 |
Double: | 5 |
Rotors: | 5 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 304.384 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 5 |
XLogP: | 2.47 |
LogP (Chemaxon): | 2.15 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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