Chemical ID: 4799805

CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccc7c(c6)OCO7)Cl
Chemical ID:
4799805
Name [?]:
None
SMILES [?]:
CCN1c2ccccc2C3(C1=O)c4c(=O)c5cc(ccc5oc4C(=O)N3Cc6ccc7c(c6)OCO7)Cl
InChi [?]:
InChI=1/C28H19ClN2O6/c1-2-30-19-6-4-3-5-18(19)28(27(30)34)23-24(32)17-12-16(29)8-10-20(17)37-25(23)26(33)31(28)13-15-7-9-21-22(11-15)36-14-35-21/h3-12H,2,13-14H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,7,6,8,5,29,19,30,20,33,17,27,35,28,18,16,9,4,21,31,32,13,14,23,24,11,10,37,3,26,15,25,12,36,34,22/rA:37cCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCOCOCl/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;d29;s30;d31;d28s32;s32;s34;s31s35;s18;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H19ClN2O6
All Atoms:37
Heavy Atoms:37
Chiral Atoms:1
ZAP Information [?]
Total:11.0873
Area:667.193
Solvation:-5.59256
Coulombic:-68.2159
Bond Count [?]
All:43
Single:30
Double:13
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:514.913
H-Bond Donors:0
H-Bond Acceptors:7
XLogP:4.05
LogP (Chemaxon):3.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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