Chemical ID: 4578409

CCOc1ccccc1c2c3c(cc(n2)C(=O)NCCO)c4ccccc4[nH]3
Chemical ID:
4578409
Name [?]:
None
SMILES [?]:
CCOc1ccccc1c2c3c(cc(n2)C(=O)NCCO)c4ccccc4[nH]3
InChi [?]:
InChI=1/C22H21N3O3/c1-2-28-19-10-6-4-8-15(19)20-21-16(14-7-3-5-9-17(14)24-21)13-18(25-20)22(27)23-11-12-26/h3-10,13,24,26H,2,11-12H2,1H3,(H,23,27)
InChi Info:
AuxInfo=1/1/N:1,2,24,7,25,6,23,8,26,5,19,20,13,22,9,12,27,14,4,10,11,16,18,28,15,21,17,3/rA:28nCCOCCCCCCCCCCCNCONCCOCCCCCCN/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s10;d11;s12;d13;d10s14;s14;d16;s16;s18;s19;s20;s12;s22;d23;s24;d25;d22s26;s11s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H21N3O3
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:9.95824
Area:591.834
Solvation:-4.8376
Coulombic:-64.7138
Bond Count [?]
All:31
Single:21
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:375.421
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:3.43
LogP (Chemaxon):3.56

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Descriptor Annotations

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