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Chemical ID: 4083510
Chemical ID:
4083510
Name [?]:
None
SMILES [?]:
CCOC(=O)C1Cc2c3ccccc3[nH]c2C(N1C(=O)C)C
InChi [?]:
InChI=1/C17H20N2O3/c1-4-22-17(21)15-9-13-12-7-5-6-8-14(12)18-16(13)10(2)19(15)11(3)20/h5-8,10,15,18H,4,9H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,22,21,2,11,12,10,13,7,17,19,9,8,14,6,16,4,15,18,20,5,3/rA:22cCCOCOCCCCCCCCCNCCNCOCC/rB:s1;s2;s3;d4;s4;s6;s7;s8;s9;d10;s11;d12;d9s13;s14;d8s15;s16;s6s17;s18;d19;s19;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C17H20N2O3 |
All Atoms: | 22 |
Heavy Atoms: | 22 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 8.37491 |
Area: | 483.04 |
Solvation: | -3.70109 |
Coulombic: | -45.2044 |
Bond Count [?]
All: | 24 |
Single: | 18 |
Double: | 6 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 300.352 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 4 |
XLogP: | 2.24 |
LogP (Chemaxon): | 1.91 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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