Chemical ID: 4798057

CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3CCOC)C
Chemical ID:
4798057
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3CCOC)C
InChi [?]:
InChI=1/C24H22N2O5/c1-4-25-17-8-6-5-7-16(17)24(23(25)29)19-20(27)15-13-14(2)9-10-18(15)31-21(19)22(28)26(24)11-12-30-3/h5-10,13H,4,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,30,2,7,6,8,5,19,20,27,28,17,18,16,9,4,21,13,14,23,24,11,10,3,26,15,25,12,29,22/rA:31cCCNCCCCCCCCOCCOCCCCCCOCCONCCOCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s10;s13;d14;s14;s16;d17;s18;d19;d16s20;s21;d13s22;s23;d24;s10s24;s26;s27;s28;s29;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H22N2O5
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:9.75655
Area:580.846
Solvation:-4.7646
Coulombic:-58.6944
Bond Count [?]
All:35
Single:25
Double:10
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:418.442
H-Bond Donors:0
H-Bond Acceptors:6
XLogP:2.21
LogP (Chemaxon):2.11

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Experimental Annotations

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Descriptor Annotations

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