Chemical ID: 7080147

CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4ccc(cc4)OC
Chemical ID:
7080147
Name [?]:
None
SMILES [?]:
CN(C)CCCN1C(c2c(=O)c3cc(ccc3oc2C1=O)Cl)c4ccc(cc4)OC
InChi [?]:
InChI=1/C23H23ClN2O4/c1-25(2)11-4-12-26-20(14-5-8-16(29-3)9-6-14)19-21(27)17-13-15(24)7-10-18(17)30-22(19)23(26)28/h5-10,13,20H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,30,5,24,28,15,25,27,16,4,6,13,23,14,26,12,17,9,8,10,19,20,22,2,7,11,21,29,18/E:(1,2)(5,6)(8,9)/rA:30cCNCCCCNCCCOCCCCCCOCCOClCCCCCCOC/rB:s1;s2;s2;s4;s5;s6;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s14;s8;s23;d24;s25;d26;d23s27;s26;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H23ClN2O4
All Atoms:53
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:11.3676
Area:650.995
Solvation:-4.90727
Coulombic:-47.0527
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:426.892
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.17
LogP (Chemaxon):2.95

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Descriptor Annotations

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