Chemical ID: 4088317

CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)c5ccccc5NC4=O
Chemical ID:
4088317
Name [?]:
None
SMILES [?]:
CC1C2CN3CCC4(C3CC2C(=CO1)C(=O)OC)c5ccccc5NC4=O
InChi [?]:
InChI=1/C21H24N2O4/c1-12-14-10-23-8-7-21(16-5-3-4-6-17(16)22-20(21)25)18(23)9-13(14)15(11-27-12)19(24)26-2/h3-6,11-14,18H,7-10H2,1-2H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,18,21,22,20,23,7,6,10,4,13,2,11,3,12,19,24,9,15,26,8,25,5,16,27,17,14/rA:27cCCCCNCCCCCCCCOCOOCCCCCCCNCO/rB:s1;s2;s3;s4;s5;s6;s7;s5s8;s9;s3s10;s11;d12;s2s13;s12;d15;s15;s17;s8;s19;d20;s21;d22;d19s23;s24;s8s25;d26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N2O4
All Atoms:27
Heavy Atoms:27
Chiral Atoms:6
ZAP Information [?]
Total:8.8997
Area:526.579
Solvation:-4.26477
Coulombic:-52.3017
Bond Count [?]
All:31
Single:25
Double:6
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:368.426
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:1.68
LogP (Chemaxon):1.51

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