Chemical ID: 4582179

c1ccc2c(c1)c3cc(ncc3[nH]2)C(=O)NCC4CCCO4
Chemical ID:
4582179
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3cc(ncc3[nH]2)C(=O)NCC4CCCO4
InChi [?]:
InChI=1/C17H17N3O2/c21-17(19-9-11-4-3-7-22-11)15-8-13-12-5-1-2-6-14(12)20-16(13)10-18-15/h1-2,5-6,8,10-11,20H,3-4,7,9H2,(H,19,21)
InChi Info:
AuxInfo=1/1/N:1,2,20,19,6,3,21,8,17,11,18,5,7,4,9,12,14,10,16,13,15,22/rA:22cCCCCCCCCCNCCNCONCCCCCO/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s9;d10;d7s11;s4s12;s9;d14;s14;s16;s17;s18;s19;s20;s18s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N3O2
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:9.20151
Area:500.609
Solvation:-3.31372
Coulombic:-47.606
Bond Count [?]
All:25
Single:18
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:295.336
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.13
LogP (Chemaxon):2.06

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Descriptor Annotations

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