Chemical ID: 4854657

COc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nccs5
Chemical ID:
4854657
Name [?]:
None
SMILES [?]:
COc1ccc(cc1OC)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nccs5
InChi [?]:
InChI=1/C22H16N2O5S/c1-27-15-8-7-12(11-16(15)28-2)18-17-19(25)13-5-3-4-6-14(13)29-20(17)21(26)24(18)22-23-9-10-30-22/h3-11,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,10,17,18,16,19,5,4,28,29,7,6,15,20,3,8,12,11,13,22,23,26,27,25,14,24,2,9,21,30/rA:30cCOCCCCCCOCCCCOCCCCCCOCCONCNCCS/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s9;s6;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;d26;s27;d28;s26s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H16N2O5S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:1
ZAP Information [?]
Total:7.87462
Area:592.678
Solvation:-6.94234
Coulombic:-53.4556
Bond Count [?]
All:34
Single:23
Double:11
Rotors:4
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:420.439
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.12
LogP (Chemaxon):3.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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