Chemical ID: 4898242

Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OC)c5nc(c(s5)C)C
Chemical ID:
4898242
Name [?]:
None
SMILES [?]:
Cc1ccc2c(c1)c(=O)c3c(o2)C(=O)N(C3c4ccc(cc4)OC)c5nc(c(s5)C)C
InChi [?]:
InChI=1/C24H20N2O4S/c1-12-5-10-18-17(11-12)21(27)19-20(15-6-8-16(29-4)9-7-15)26(23(28)22(19)30-18)24-25-13(2)14(3)31-24/h5-11,20H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,31,30,24,3,18,22,19,21,4,7,2,27,28,17,20,6,5,10,16,8,11,13,25,26,15,9,14,23,12,29/E:(6,7)(8,9)/rA:31cCCCCCCCCOCCOCONCCCCCCCOCCNCCSCC/rB:s1;s2;d3;s4;d5;d2s6;s6;d8;s8;d10;s5s11;s11;d13;s13;s10s15;s16;s17;d18;s19;d20;d17s21;s20;s23;s15;d25;s26;d27;s25s28;s28;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H20N2O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:10.9816
Area:626.815
Solvation:-4.68879
Coulombic:-47.185
Bond Count [?]
All:35
Single:24
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:432.493
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.31
LogP (Chemaxon):3.98

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Descriptor Annotations

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