Chemical ID: 5155480

CCC1(CCN(C1)CC)CN2c3ccccc3Sc4c2cc(cc4)Cl
Chemical ID:
5155480
Name [?]:
2-chloro-10-[(1,3-diethylpyrrolidin-3-yl)methyl]phenothiazine
SMILES [?]:
CCC1(CCN(C1)CC)CN2c3ccccc3Sc4c2cc(cc4)Cl
InChi [?]:
InChI=1/C21H25ClN2S/c1-3-21(11-12-23(4-2)14-21)15-24-17-7-5-6-8-19(17)25-20-10-9-16(22)13-18(20)24/h5-10,13H,3-4,11-12,14-15H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,9,2,8,14,15,13,16,23,24,4,5,21,7,10,22,12,20,17,19,3,25,6,11,18/rA:25cCCCCCNCCCCNCCCCCCSCCCCCCCl/rB:s1;s2;s3;s4;s5;s3s6;s6;s8;s3;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;s11s19;d20;s21;d22;d19s23;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H25ClN2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:2
ZAP Information [?]
Total:11.7684
Area:531.096
Solvation:-1.50898
Coulombic:-14.8888
Bond Count [?]
All:28
Single:22
Double:6
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:372.955
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:6.33
LogP (Chemaxon):5.92

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Descriptor Annotations

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