Chemical ID: 4083510

CCOC(=O)C1Cc2c3ccccc3[nH]c2C(N1C(=O)C)C
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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