Chemical ID: 5407667

CC(C)CNCC(=O)N1c2ccccc2Sc3c1cccc3
Chemical ID:
5407667
Name [?]:
2-isobutylamino-1-phenothiazin-10-yl-ethanone
SMILES [?]:
CC(C)CNCC(=O)N1c2ccccc2Sc3c1cccc3
InChi [?]:
InChI=1/C18H20N2OS/c1-13(2)11-19-12-18(21)20-14-7-3-5-9-16(14)22-17-10-6-4-8-15(17)20/h3-10,13,19H,11-12H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,12,20,13,21,11,19,14,22,4,6,2,10,18,15,17,7,5,9,8,16/E:(1,2)(3,4)(5,6)(7,8)(9,10)(14,15)(16,17)/rA:22nCCCCNCCONCCCCCCSCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;s10;d11;s12;d13;d10s14;s15;s16;s9s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20N2OS
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:10.2634
Area:503.167
Solvation:-2.31577
Coulombic:-27.5389
Bond Count [?]
All:24
Single:17
Double:7
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:312.43
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:3.52
LogP (Chemaxon):4.0

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Experimental Annotations

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Descriptor Annotations

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