Chemical ID: 7254450

CC1CN(CC(O1)C)C(=O)C(C)Nc2ccc3c(c2)OCCO3
Chemical ID:
7254450
Name [?]:
1-(2,6-dimethylmorpholin-4-yl)-2-(2,5-dioxabicyclo[4.4.0]deca-7,9,11-trien-8-ylamino)propan-1-one
SMILES [?]:
CC1CN(CC(O1)C)C(=O)C(C)Nc2ccc3c(c2)OCCO3
InChi [?]:
InChI=1/C17H24N2O4/c1-11-9-19(10-12(2)23-11)17(20)13(3)18-14-4-5-15-16(8-14)22-7-6-21-15/h4-5,8,11-13,18H,6-7,9-10H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,8,12,15,16,22,21,19,3,5,2,6,11,14,17,18,9,13,4,10,23,20,7/E:(1,2)(9,10)(11,12)/rA:23cCCCNCCOCCOCCNCCCCCCOCCO/rB:s1;s2;s3;s4;s5;s2s6;s6;s4;d9;s9;s11;s11;s13;s14;d15;s16;d17;d14s18;s18;s20;s21;s17s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24N2O4
All Atoms:47
Heavy Atoms:23
Chiral Atoms:3
ZAP Information [?]
Total:7.96427
Area:520.065
Solvation:-5.03734
Coulombic:-52.5691
Bond Count [?]
All:25
Single:21
Double:4
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:320.384
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.65
LogP (Chemaxon):1.13

Name Annotations

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Descriptor Annotations

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