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Chemical ID: 4884165
Chemical ID:
4884165
Name [?]:
N-(4-methoxyphenyl)-N-[1-(4-methylpiperazin-1-yl)carbonylethyl]methanesulfonamide
SMILES [?]:
CC(C(=O)N1CCN(CC1)C)N(c2ccc(cc2)OC)S(=O)(=O)C
InChi [?]:
InChI=1/C16H25N3O4S/c1-13(16(20)18-11-9-17(2)10-12-18)19(24(4,21)22)14-5-7-15(23-3)8-6-14/h5-8,13H,9-12H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,11,20,24,14,18,15,17,7,9,6,10,2,13,16,3,8,5,12,4,22,23,19,21/E:(5,6)(7,8)(9,10)(11,12)(21,22)/CRV:24.6/rA:24cCCCONCCNCCCNCCCCCCOCSOOC/rB:s1;s2;d3;s3;s5;s6;s7;s8;s5s9;s8;s2;s12;s13;d14;s15;d16;d13s17;s16;s19;s12;d21;d21;s21;/rC:;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H25N3O4S |
All Atoms: | 24 |
Heavy Atoms: | 24 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 7.12231 |
Area: | 527.979 |
Solvation: | -6.07716 |
Coulombic: | -31.8089 |
Bond Count [?]
All: | 25 |
Single: | 19 |
Double: | 6 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 6 |
Chemical Properties
Molecular Weight: | 355.454 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 7 |
XLogP: | 1.22 |
LogP (Chemaxon): | 0.06 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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