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Chemical ID: 6042045
Chemical ID:
6042045
Name [?]:
2-(8-methyl-4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(2-oxoazepan-3-yl)-acetamide
SMILES [?]:
Cc1ccc2c(c1)N(C(=O)CO2)CC(=O)NC3CCCCNC3=O
InChi [?]:
InChI=1/C17H21N3O4/c1-11-5-6-14-13(8-11)20(16(22)10-24-14)9-15(21)19-12-4-2-3-7-18-17(12)23/h5-6,8,12H,2-4,7,9-10H2,1H3,(H,18,23)(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,19,20,18,3,4,21,7,13,11,2,17,6,5,14,9,23,22,16,8,15,10,24,12/rA:24cCCCCCCCNCOCOCCONCCCCCNCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;s5s11;s8;s13;d14;s14;s16;s17;s18;s19;s20;s21;s17s22;d23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H21N3O4 |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.2474 |
Area: | 517.637 |
Solvation: | -5.69352 |
Coulombic: | -65.3306 |
Bond Count [?]
All: | 26 |
Single: | 20 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 331.366 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 0.97 |
LogP (Chemaxon): | -0.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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