Chemical ID: 7333009

CCOC(=O)c1cc(c(c(c1)Cl)Oc2c3ccsc3ncn2)Cl
Chemical ID:
7333009
Name [?]:
ethyl 3,5-dichloro-4-(7-thia-3,5-diazabicyclo[4.3.0]nona-2,4,8,10-tetraen-2-yloxy)benzoate
SMILES [?]:
CCOC(=O)c1cc(c(c(c1)Cl)Oc2c3ccsc3ncn2)Cl
InChi [?]:
InChI=1/C15H10Cl2N2O3S/c1-2-21-15(20)8-5-10(16)12(11(17)6-8)22-13-9-3-4-23-14(9)19-7-18-13/h3-7H,2H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,16,17,7,11,21,6,15,8,10,9,14,19,4,23,12,22,20,5,3,13,18/E:(5,6)(10,11)(16,17)/rA:23nCCOCOCCCCCCClOCCCCSCNCNCl/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s10;s9;s13;s14;s15;d16;s17;d15s18;s19;d20;d14s21;s8;/rC:;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H10Cl2N2O3S
All Atoms:33
Heavy Atoms:23
Chiral Atoms:0
ZAP Information [?]
Total:11.1358
Area:545.779
Solvation:-2.50866
Coulombic:-40.443
Bond Count [?]
All:25
Single:17
Double:8
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:369.223
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.4
LogP (Chemaxon):4.44

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Descriptor Annotations

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