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Chemical ID: 6210819
Chemical ID:
6210819
Name [?]:
2-(4-oxo-2-oxa-5-azabicyclo[4.4.0]deca-7,9,11-trien-5-yl)-N-(2-pyrrolidin-1-ylethyl)acetamide
SMILES [?]:
c1ccc2c(c1)N(C(=O)CO2)CC(=O)NCCN3CCCC3
InChi [?]:
InChI=1/C16H21N3O3/c20-15(17-7-10-18-8-3-4-9-18)11-19-13-5-1-2-6-14(13)22-12-16(19)21/h1-2,5-6H,3-4,7-12H2,(H,17,20)
InChi Info:
AuxInfo=1/1/N:1,2,20,21,6,3,16,19,22,17,12,10,5,4,13,8,15,18,7,14,9,11/E:(3,4)(8,9)/rA:22nCCCCCCNCOCOCCONCCNCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s8;s4s10;s7;s12;d13;s13;s15;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H21N3O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.95601 |
Area: | 507.404 |
Solvation: | -4.72907 |
Coulombic: | -49.6686 |
Bond Count [?]
All: | 24 |
Single: | 19 |
Double: | 5 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 303.356 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 6 |
XLogP: | 0.33 |
LogP (Chemaxon): | -0.17 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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