Chemical ID: 4562939

COc1ccc(cc1CN2CCCCC2)C3c4c(c5ccccc5[nH]4)CCN3
Chemical ID:
4562939
Name [?]:
None
SMILES [?]:
COc1ccc(cc1CN2CCCCC2)C3c4c(c5ccccc5[nH]4)CCN3
InChi [?]:
InChI=1/C24H29N3O/c1-28-22-10-9-17(15-18(22)16-27-13-5-2-6-14-27)23-24-20(11-12-25-23)19-7-3-4-8-21(19)26-24/h3-4,7-10,15,23,25-26H,2,5-6,11-14,16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,13,21,22,12,14,20,23,5,4,26,27,11,15,7,9,6,8,19,18,24,3,16,17,28,25,10,2/E:(5,6)(13,14)/rA:28cCOCCCCCCCNCCCCCCCCCCCCCCNCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s10;s11;s12;s13;s10s14;s6;s16;d17;s18;s19;d20;s21;d22;d19s23;s17s24;s18;s26;s16s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H29N3O
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:10.9588
Area:590.233
Solvation:-3.79703
Coulombic:-33.123
Bond Count [?]
All:32
Single:25
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:375.507
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.57
LogP (Chemaxon):3.92

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Descriptor Annotations

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