Chemical ID: 3965024

CN(C)C(=O)OC1=C(Sc2ccccc2-n3c1ccc3)c4ccc(cc4)OC
Chemical ID:
3965024
Name [?]:
None
SMILES [?]:
CN(C)C(=O)OC1=C(Sc2ccccc2-n3c1ccc3)c4ccc(cc4)OC
InChi [?]:
InChI=1/C22H20N2O3S/c1-23(2)22(25)27-20-18-8-6-14-24(18)17-7-4-5-9-19(17)28-21(20)15-10-12-16(26-3)13-11-15/h4-14H,1-3H3
InChi Info:
AuxInfo=1/0/N:1,3,28,13,12,19,14,18,11,22,26,23,25,20,21,24,15,17,10,7,8,4,2,16,5,27,6,9/E:(1,2)(10,11)(12,13)/rA:28nCNCCOOCCSCCCCCCNCCCCCCCCCCOC/rB:s1;s2;s2;d4;s4;s6;d7;s8;s9;s10;d11;s12;d13;d10s14;s15;s7s16;d17;s18;s16d19;s8;s21;d22;s23;d24;d21s25;s24;s27;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H20N2O3S
All Atoms:28
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:10.6417
Area:567.129
Solvation:-3.53651
Coulombic:-44.8731
Bond Count [?]
All:31
Single:21
Double:10
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:392.472
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.81
LogP (Chemaxon):2.64

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Descriptor Annotations

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