Chemical ID: 4580526

COc1cccc(c1)c2c3c(cc(n2)C(=O)NCC4CCCO4)c5ccccc5[nH]3
Chemical ID:
4580526
Name [?]:
None
SMILES [?]:
COc1cccc(c1)c2c3c(cc(n2)C(=O)NCC4CCCO4)c5ccccc5[nH]3
InChi [?]:
InChI=1/C24H23N3O3/c1-29-16-7-4-6-15(12-16)22-23-19(18-9-2-3-10-20(18)26-23)13-21(27-22)24(28)25-14-17-8-5-11-30-17/h2-4,6-7,9-10,12-13,17,26H,5,8,11,14H2,1H3,(H,25,28)
InChi Info:
AuxInfo=1/1/N:1,26,27,5,21,6,4,20,25,28,22,8,12,18,7,3,19,24,11,29,13,9,10,15,17,30,14,16,2,23/rA:30cCOCCCCCCCCCCCNCONCCCCCOCCCCCCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s7;s9;d10;s11;d12;d9s13;s13;d15;s15;s17;s18;s19;s20;s21;s19s22;s11;s24;d25;s26;d27;d24s28;s10s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H23N3O3
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:10.9522
Area:632.76
Solvation:-4.86683
Coulombic:-56.1639
Bond Count [?]
All:34
Single:24
Double:10
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:401.458
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:4.07
LogP (Chemaxon):3.89

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Descriptor Annotations

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