Chemical ID: 4911644

c1ccc2c(c1)c3c([nH]2)C45CCCC=C4N(C(=O)N5CC3)CCO
Chemical ID:
4911644
Name [?]:
None
SMILES [?]:
c1ccc2c(c1)c3c([nH]2)C45CCCC=C4N(C(=O)N5CC3)CCO
InChi [?]:
InChI=1/C19H21N3O2/c23-12-11-21-16-7-3-4-9-19(16)17-14(8-10-22(19)18(21)24)13-5-1-2-6-15(13)20-17/h1-2,5-7,20,23H,3-4,8-12H2
InChi Info:
AuxInfo=1/0/N:1,2,13,12,6,3,14,21,11,20,22,23,5,7,4,15,8,17,10,9,16,19,24,18/rA:24cCCCCCCCCNCCCCCCNCONCCCCO/rB:s1;d2;s3;d4;d1s5;s5;d7;s4s8;s8;s10;s11;s12;s13;s10d14;s15;s16;d17;s10s17;s19;s7s20;s16;s22;s23;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H21N3O2
All Atoms:24
Heavy Atoms:24
Chiral Atoms:1
ZAP Information [?]
Total:7.95053
Area:483.408
Solvation:-4.13466
Coulombic:-53.6117
Bond Count [?]
All:28
Single:22
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:323.389
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.32
LogP (Chemaxon):1.26

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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