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Chemical ID: 4486796
Chemical ID:
4486796
Name [?]:
N-(2,5-dimethoxyphenyl)-N-[(4-ethylpiperazin-1-yl)carbonylmethyl]-3,4-dimethoxy-benzenesulfonamide
SMILES [?]:
CCN1CCN(CC1)C(=O)CN(c2cc(ccc2OC)OC)S(=O)(=O)c3ccc(c(c3)OC)OC
InChi [?]:
InChI=1/C24H33N3O7S/c1-6-25-11-13-26(14-12-25)24(28)17-27(20-15-18(31-2)7-9-21(20)32-3)35(29,30)19-8-10-22(33-4)23(16-19)34-5/h7-10,15-16H,6,11-14,17H2,1-5H3
InChi Info:
AuxInfo=1/0/N:1,22,20,35,33,2,16,27,17,28,4,8,5,7,14,31,11,15,26,13,18,29,30,9,3,6,12,10,24,25,21,19,34,32,23/E:(11,12)(13,14)(29,30)/CRV:35.6/rA:35cCCNCCNCCCOCNCCCCCCOCOCSOOCCCCCCOCOC/rB:s1;s2;s3;s4;s5;s6;s3s7;s6;d9;s9;s11;s12;s13;d14;s15;d16;d13s17;s18;s19;s15;s21;s12;d23;d23;s23;s26;d27;s28;d29;d26s30;s30;s32;s29;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H33N3O7S |
All Atoms: | 35 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.09359 |
Area: | 683.644 |
Solvation: | -8.99752 |
Coulombic: | -53.9337 |
Bond Count [?]
All: | 37 |
Single: | 28 |
Double: | 9 |
Rotors: | 11 |
Chiral: | 0 |
Rigid Segments: | 11 |
Chemical Properties
Molecular Weight: | 507.601 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 10 |
XLogP: | 2.05 |
LogP (Chemaxon): | 1.16 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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