Chemical ID: 5493374

c1ccc2c(c1)N(c3ccccc3S2)C(=O)COC(=O)C4CC4
Chemical ID:
5493374
Name [?]:
phenothiazin-10-ylcarbonylmethyl cyclopropanecarboxylate
SMILES [?]:
c1ccc2c(c1)N(c3ccccc3S2)C(=O)COC(=O)C4CC4
InChi [?]:
InChI=1/C18H15NO3S/c20-17(11-22-18(21)12-9-10-12)19-13-5-1-3-7-15(13)23-16-8-4-2-6-14(16)19/h1-8,12H,9-11H2
InChi Info:
AuxInfo=1/0/N:1,10,2,11,6,9,3,12,22,23,17,21,5,8,4,13,15,19,7,16,20,18,14/E:(1,2)(3,4)(5,6)(7,8)(9,10)(13,14)(15,16)/rA:23nCCCCCCNCCCCCCSCOCOCOCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;s8;d9;s10;d11;d8s12;s4s13;s7;d15;s15;s17;s18;d19;s19;s21;s21s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H15NO3S
All Atoms:23
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:9.82186
Area:502.274
Solvation:-2.735
Coulombic:-36.6903
Bond Count [?]
All:26
Single:18
Double:8
Rotors:5
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:325.383
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:3.07
LogP (Chemaxon):3.55

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Experimental Annotations

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Descriptor Annotations

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